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CP 74667

CAT: 0013-GTR19194980-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19194980-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CP 74667
CAS Number
108461-05-8
Smiles
O=C1C=2C (N (C=C1C (O) =O) C3CC3) =CC (=C (F) C2) N4CC5N (C) C (C4) CC5
Molecular Formula
C20H22FN3O3
Molecular Weight
371.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-Cyclopropyl-6-fluoro-1,4-dihydro-7-(8-methyl-3,8-diazabicyclo(3.2.1)oct-3-yl)-4-oxo-3-quinolinecarboxylic acid
CAS Number108461-05-8
PubChem CID44371353
IUPAC Name1-cyclopropyl-6-fluoro-7-[(1S,5R)-8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]-4-oxoquinoline-3-carboxylic acid
Molecular FormulaC20H22FN3O3
Molecular Weight371.4
XLogP0
Topological Polar Surface Area64.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity680
SMILES
CN1[C@@H]2CC[C@H]1CN(C2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F
InChI
InChI=1S/C20H22FN3O3/c1-22-12-4-5-13(22)9-23(8-12)18-7-17-14(6-16(18)21)19(25)15(20(26)27)10-24(17)11-2-3-11/h6-7,10-13H,2-5,8-9H2,1H3,(H,26,27)/t12-,13+
InChIKey
ALRZZABRVIYCNY-BETUJISGSA-N
Chemical Structure
2D Structure
2D structure of 1-Cyclopropyl-6-fluoro-1,4-dihydro-7-(8-methyl-3,8-diazabicyclo(3.2.1)oct-3-yl)-4-oxo-3-quinolinecarboxylic acid
CAS: 108461-05-8
CID: 44371353
Formula: C20H22FN3O3
MW: 371.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight371.4
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass371.16451973
Monoisotopic Mass371.16451973
Topological Polar Surface Area64.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity680
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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