2,4-dichloro-N-(2-methylquinolin-5-yl)benzamide

C17H12Cl2N2O — CID 6462273

IUPAC2,4-dichloro-N-(2-methylquinolin-5-yl)benzamide
SMILESCc1ccc2c(NC(=O)c3ccc(Cl)cc3Cl)cccc2n1
InChIInChI=1S/C17H12Cl2N2O/c1-10-5-7-13-15(20-10)3-2-4-16(13)21-17(22)12-8-6-11(18)9-14(12)19/h2-9H,1H3,(H,21,22)
InChIKeyQHJFGASTGOKXSK-UHFFFAOYSA-N
MW331.20 g/mol
LogP5.10
Rot. Bonds2

About 2,4-dichloro-N-(2-methylquinolin-5-yl)benzamide

2,4-dichloro-N-(2-methylquinolin-5-yl)benzamide (PubChem CID 6462273) has the molecular formula C17H12Cl2N2O and a molecular weight of 331.20 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-methylquinolin-5-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2-methylquinolin-5-yl)benzamide
PubChem CID6462273
Molecular FormulaC17H12Cl2N2O
Molecular Weight331.20 g/mol
Exact Mass330.03
IUPAC Name2,4-dichloro-N-(2-methylquinolin-5-yl)benzamide
SMILESCc1ccc2c(NC(=O)c3ccc(Cl)cc3Cl)cccc2n1
InChIInChI=1S/C17H12Cl2N2O/c1-10-5-7-13-15(20-10)3-2-4-16(13)21-17(22)12-8-6-11(18)9-14(12)19/h2-9H,1H3,(H,21,22)
InChIKeyQHJFGASTGOKXSK-UHFFFAOYSA-N
XLogP5.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.20
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-iodo-N-(2-methylquinolin-5-yl)benzamide
CID 17099145
N-(2-chlorophenyl)-2-methylquinoline-4-carboxamide
CID 856039
5-chloro-N-(2-methylquinolin-5-yl)-2-methylsulfonylpyrimidine-4-carboxamide
CID 19245702
3-chloro-N-(2-methylquinolin-4-yl)benzamide
CID 4298030
3,4-dimethoxy-N-(2-methylquinolin-5-yl)benzamide
CID 2996969
4-chloro-6-methyl-N-quinolin-5-ylpyridine-3-carboxamide
CID 81230952
2,4-dichloro-N-(4-hydroxy-2-methylphenyl)benzamide
CID 849254
2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide
CID 3454315
2,4-dichloro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide
CID 24637845
2,4-dimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide
CID 17099334
2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid
CID 4287647
methyl 3-[(2,4-dichlorobenzoyl)amino]-2-hydroxybenzoate
CID 108745807

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2-methylquinolin-5-yl)benzamide?
The IUPAC name of 2,4-dichloro-N-(2-methylquinolin-5-yl)benzamide (CID 6462273) is 2,4-dichloro-N-(2-methylquinolin-5-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(2-methylquinolin-5-yl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(2-methylquinolin-5-yl)benzamide is Cc1ccc2c(NC(=O)c3ccc(Cl)cc3Cl)cccc2n1.
What is the InChIKey of 2,4-dichloro-N-(2-methylquinolin-5-yl)benzamide?
The InChIKey is QHJFGASTGOKXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O/c1-10-5-7-13-15(20-10)3-2-4-16(13)21-17(22)12-8-6-11(18)9-14(12)19/h2-9H,1H3,(H,21,22).
What are the key properties of 2,4-dichloro-N-(2-methylquinolin-5-yl)benzamide?
2,4-dichloro-N-(2-methylquinolin-5-yl)benzamide has a molecular weight of 331.20 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2-methylquinolin-5-yl)benzamide is sourced from PubChem (CID 6462273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).