2-chloro-N-[7-chloro-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide

C24H20Cl2N2O3 — CID 134278889

IUPAC2-chloro-N-[7-chloro-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide
SMILESCOc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3Cl)c3ccc(Cl)cc32)cc1
InChIInChI=1S/C24H20Cl2N2O3/c1-31-17-9-6-15(7-10-17)24(30)28-13-12-21(19-11-8-16(25)14-22(19)28)27-23(29)18-4-2-3-5-20(18)26/h2-11,14,21H,12-13H2,1H3,(H,27,29)
InChIKeyBFJSYXDQEJMKRR-UHFFFAOYSA-N
MW455.34 g/mol
LogP5.52
Rot. Bonds4

About 2-chloro-N-[7-chloro-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide

2-chloro-N-[7-chloro-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide (PubChem CID 134278889) has the molecular formula C24H20Cl2N2O3 and a molecular weight of 455.34 g/mol. Its IUPAC name is 2-chloro-N-[7-chloro-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[7-chloro-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide
PubChem CID134278889
Molecular FormulaC24H20Cl2N2O3
Molecular Weight455.34 g/mol
Exact Mass454.09
IUPAC Name2-chloro-N-[7-chloro-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide
SMILESCOc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3Cl)c3ccc(Cl)cc32)cc1
InChIInChI=1S/C24H20Cl2N2O3/c1-31-17-9-6-15(7-10-17)24(30)28-13-12-21(19-11-8-16(25)14-22(19)28)27-23(29)18-4-2-3-5-20(18)26/h2-11,14,21H,12-13H2,1H3,(H,27,29)
InChIKeyBFJSYXDQEJMKRR-UHFFFAOYSA-N
XLogP5.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.34
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[7-chloro-1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide
CID 134278832
2-chloro-N-[4-(3,4-dimethoxybenzoyl)-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278359
N-[7-chloro-1-(3,4-dimethoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 134278288
2-chloro-N-[7-chloro-1-(6-chloropyridine-3-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-4-yl]benzamide
CID 134278752
2-chloro-N-[4-(3-chloro-4-methoxybenzoyl)-1-cyclopentyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278958
4-methoxy-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)benzamide
CID 110751385
(2,4-dichlorophenyl)-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110637145
2-chloro-N-[4-(2-methoxypyridine-4-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278343
2-chloro-N-[1-methyl-4-(3,4,5-trifluorobenzoyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278405
(3,4-dichlorophenyl)-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110637100
(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone
CID 110709476
N-[4-[6-chloro-4-(methylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]-2-methylbenzamide
CID 57135530

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[7-chloro-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide?
The IUPAC name of 2-chloro-N-[7-chloro-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide (CID 134278889) is 2-chloro-N-[7-chloro-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[7-chloro-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide?
The canonical SMILES for 2-chloro-N-[7-chloro-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide is COc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3Cl)c3ccc(Cl)cc32)cc1.
What is the InChIKey of 2-chloro-N-[7-chloro-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide?
The InChIKey is BFJSYXDQEJMKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N2O3/c1-31-17-9-6-15(7-10-17)24(30)28-13-12-21(19-11-8-16(25)14-22(19)28)27-23(29)18-4-2-3-5-20(18)26/h2-11,14,21H,12-13H2,1H3,(H,27,29).
What are the key properties of 2-chloro-N-[7-chloro-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide?
2-chloro-N-[7-chloro-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide has a molecular weight of 455.34 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[7-chloro-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide is sourced from PubChem (CID 134278889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).