N-[2-chloro-5-(phenylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide

C24H18ClN3O2 — CID 86982673

IUPACN-[2-chloro-5-(phenylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl
InChIInChI=1S/C24H18ClN3O2/c1-15-19(13-16-7-5-6-10-21(16)26-15)24(30)28-22-14-17(11-12-20(22)25)23(29)27-18-8-3-2-4-9-18/h2-14H,1H3,(H,27,29)(H,28,30)
InChIKeyLINZKTUZWSRSSH-UHFFFAOYSA-N
MW415.88 g/mol
LogP5.70
Rot. Bonds4

About N-[2-chloro-5-(phenylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide

N-[2-chloro-5-(phenylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide (PubChem CID 86982673) has the molecular formula C24H18ClN3O2 and a molecular weight of 415.88 g/mol. Its IUPAC name is N-[2-chloro-5-(phenylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(phenylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide
PubChem CID86982673
Molecular FormulaC24H18ClN3O2
Molecular Weight415.88 g/mol
Exact Mass415.11
IUPAC NameN-[2-chloro-5-(phenylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl
InChIInChI=1S/C24H18ClN3O2/c1-15-19(13-16-7-5-6-10-21(16)26-15)24(30)28-22-14-17(11-12-20(22)25)23(29)27-18-8-3-2-4-9-18/h2-14H,1H3,(H,27,29)(H,28,30)
InChIKeyLINZKTUZWSRSSH-UHFFFAOYSA-N
XLogP5.70
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.88
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-(phenylcarbamoyl)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 2268765
N-[2-chloro-5-(phenylcarbamoyl)phenyl]-2,3,4,5,6-pentamethylbenzamide
CID 2250223
N-(3-benzamido-4-chlorophenyl)-6-chloro-2-methylpyridine-3-carboxamide
CID 16730950
N-(3-fluorophenyl)-2-methylquinoline-3-carboxamide
CID 2140491
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide
CID 87032124
N-(3,4-dichlorophenyl)-2-methyl-1,6-naphthyridine-3-carboxamide
CID 110863992
3-methyl-N-phenylnaphthalene-2-carboxamide
CID 90742280
4-chloro-N-phenyl-3-(3-phenylprop-2-enoylamino)benzamide
CID 1228214
4-chloro-3-(dimethylsulfamoylamino)-N-phenylbenzamide
CID 13322352
2-methyl-N-(3-piperidin-1-ylphenyl)quinoline-3-carboxamide
CID 86832456
4-chloro-3-[(2-methylbenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide
CID 1020098
N-(3-benzamido-4-chlorophenyl)naphthalene-1-carboxamide
CID 1104039

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(phenylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide?
The IUPAC name of N-[2-chloro-5-(phenylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide (CID 86982673) is N-[2-chloro-5-(phenylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(phenylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-[2-chloro-5-(phenylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide is Cc1nc2ccccc2cc1C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(phenylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide?
The InChIKey is LINZKTUZWSRSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O2/c1-15-19(13-16-7-5-6-10-21(16)26-15)24(30)28-22-14-17(11-12-20(22)25)23(29)27-18-8-3-2-4-9-18/h2-14H,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[2-chloro-5-(phenylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide?
N-[2-chloro-5-(phenylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide has a molecular weight of 415.88 g/mol, XLogP of 5.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(phenylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 86982673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).