6-chloro-N-[4-[(3-chlorobenzoyl)amino]-3-methoxyphenyl]quinoline-4-carboxamide

C24H17Cl2N3O3 — CID 156773715

IUPAC6-chloro-N-[4-[(3-chlorobenzoyl)amino]-3-methoxyphenyl]quinoline-4-carboxamide
SMILESCOc1cc(NC(=O)c2ccnc3ccc(Cl)cc23)ccc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C24H17Cl2N3O3/c1-32-22-13-17(6-8-21(22)29-23(30)14-3-2-4-15(25)11-14)28-24(31)18-9-10-27-20-7-5-16(26)12-19(18)20/h2-13H,1H3,(H,28,31)(H,29,30)
InChIKeyRZHDCEXJPALCHX-UHFFFAOYSA-N
MW466.32 g/mol
LogP6.05
Rot. Bonds5

About 6-chloro-N-[4-[(3-chlorobenzoyl)amino]-3-methoxyphenyl]quinoline-4-carboxamide

6-chloro-N-[4-[(3-chlorobenzoyl)amino]-3-methoxyphenyl]quinoline-4-carboxamide (PubChem CID 156773715) has the molecular formula C24H17Cl2N3O3 and a molecular weight of 466.32 g/mol. Its IUPAC name is 6-chloro-N-[4-[(3-chlorobenzoyl)amino]-3-methoxyphenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-[(3-chlorobenzoyl)amino]-3-methoxyphenyl]quinoline-4-carboxamide
PubChem CID156773715
Molecular FormulaC24H17Cl2N3O3
Molecular Weight466.32 g/mol
Exact Mass465.06
IUPAC Name6-chloro-N-[4-[(3-chlorobenzoyl)amino]-3-methoxyphenyl]quinoline-4-carboxamide
SMILESCOc1cc(NC(=O)c2ccnc3ccc(Cl)cc23)ccc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C24H17Cl2N3O3/c1-32-22-13-17(6-8-21(22)29-23(30)14-3-2-4-15(25)11-14)28-24(31)18-9-10-27-20-7-5-16(26)12-19(18)20/h2-13H,1H3,(H,28,31)(H,29,30)
InChIKeyRZHDCEXJPALCHX-UHFFFAOYSA-N
XLogP6.05
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.32
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[4-[(2,2-diphenylacetyl)amino]-2-methoxyphenyl]benzamide
CID 156773698
N-(6-chloroquinolin-4-yl)-3-methoxybenzamide
CID 17016577
2-[(3-chlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 16777026
3-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 32608919
N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,4-dimethoxybenzamide
CID 17314016
5-chloro-N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-methoxybenzamide
CID 17111377
N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,6-dimethoxybenzamide
CID 22775702
6-chloro-N-(3,4-dimethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 2220682
N-(4-chloro-2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 78813029
3-chloro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 46323153
2-chloro-N-[2-methoxy-4-[(3-propoxybenzoyl)amino]phenyl]benzamide
CID 22780959
3-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
CID 38082386

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-[(3-chlorobenzoyl)amino]-3-methoxyphenyl]quinoline-4-carboxamide?
The IUPAC name of 6-chloro-N-[4-[(3-chlorobenzoyl)amino]-3-methoxyphenyl]quinoline-4-carboxamide (CID 156773715) is 6-chloro-N-[4-[(3-chlorobenzoyl)amino]-3-methoxyphenyl]quinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-[(3-chlorobenzoyl)amino]-3-methoxyphenyl]quinoline-4-carboxamide?
The canonical SMILES for 6-chloro-N-[4-[(3-chlorobenzoyl)amino]-3-methoxyphenyl]quinoline-4-carboxamide is COc1cc(NC(=O)c2ccnc3ccc(Cl)cc23)ccc1NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 6-chloro-N-[4-[(3-chlorobenzoyl)amino]-3-methoxyphenyl]quinoline-4-carboxamide?
The InChIKey is RZHDCEXJPALCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N3O3/c1-32-22-13-17(6-8-21(22)29-23(30)14-3-2-4-15(25)11-14)28-24(31)18-9-10-27-20-7-5-16(26)12-19(18)20/h2-13H,1H3,(H,28,31)(H,29,30).
What are the key properties of 6-chloro-N-[4-[(3-chlorobenzoyl)amino]-3-methoxyphenyl]quinoline-4-carboxamide?
6-chloro-N-[4-[(3-chlorobenzoyl)amino]-3-methoxyphenyl]quinoline-4-carboxamide has a molecular weight of 466.32 g/mol, XLogP of 6.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-[(3-chlorobenzoyl)amino]-3-methoxyphenyl]quinoline-4-carboxamide is sourced from PubChem (CID 156773715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).