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JNJ16259685 1mg

CAT: 0628-A20545-1Size: 1 mgDry Ice: NoHazardous: No
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CAS Number
409345-29-5

Chemical Information

Jnj16259685

3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl-(4-methoxycyclohexyl)methanone is an organic heterotricyclic compound, an organonitrogen heterocyclic compound and an oxacycle.

CAS Number409345-29-5
PubChem CID11313361
IUPAC Name3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl-(4-methoxycyclohexyl)methanone
Molecular FormulaC20H23NO3
Molecular Weight325.4
XLogP3.7
Topological Polar Surface Area48.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity446
SMILES
COC1CCC(CC1)C(=O)C2=CC3=CC4=C(N=C3C=C2)OCCC4
InChI
InChI=1S/C20H23NO3/c1-23-17-7-4-13(5-8-17)19(22)14-6-9-18-16(11-14)12-15-3-2-10-24-20(15)21-18/h6,9,11-13,17H,2-5,7-8,10H2,1H3
InChIKey
QOTAQTRFJWLFCR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Jnj16259685
CAS: 409345-29-5
CID: 11313361
Formula: C20H23NO3
MW: 325.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight325.4
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass325.16779360
Monoisotopic Mass325.16779360
Topological Polar Surface Area48.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity446
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
JRA34529-01JNJ16259685
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