AR420626

CAT: 0127-BUP03383-01Size: 1 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP03383-01Size:1 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1798310-55-0

Synonyms

AR 420626, AR-420626

Purity

=95%

Smiles

CC1=C(C(c2ccco2)C2=C(CCCC2=O)N1)C(=O)Nc1cc(Cl)ccc1Cl

Chemical Information

AR420626

CAS Number	1798310-55-0
PubChem CID	91885415
IUPAC Name	N-(2,5-dichlorophenyl)-4-(furan-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Molecular Formula	C21H18Cl2N2O3
Molecular Weight	417.3
XLogP	3.8
Topological Polar Surface Area	71.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	28
Formal Charge	0
Complexity	733

SMILES

CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CO3)C(=O)NC4=C(C=CC(=C4)Cl)Cl

InChI

InChI=1S/C21H18Cl2N2O3/c1-11-18(21(27)25-15-10-12(22)7-8-13(15)23)20(17-6-3-9-28-17)19-14(24-11)4-2-5-16(19)26/h3,6-10,20,24H,2,4-5H2,1H3,(H,25,27)

InChIKey

GGTYQECCGLBHGS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1798310-55-0

CID: 91885415

Formula: C21H18Cl2N2O3

MW: 417.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	417.3
XLogP3	3.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	416.0694478
Monoisotopic Mass	416.0694478
Topological Polar Surface Area	71.3 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	733
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes