N-(2-iodophenyl)-2-methyl-4-phenylquinoline-3-carboxamide

C23H17IN2O — CID 134138354

IUPACN-(2-iodophenyl)-2-methyl-4-phenylquinoline-3-carboxamide
SMILESCc1nc2ccccc2c(-c2ccccc2)c1C(=O)Nc1ccccc1I
InChIInChI=1S/C23H17IN2O/c1-15-21(23(27)26-20-14-8-6-12-18(20)24)22(16-9-3-2-4-10-16)17-11-5-7-13-19(17)25-15/h2-14H,1H3,(H,26,27)
InChIKeyBQWNDAFLIDRHSZ-UHFFFAOYSA-N
MW464.31 g/mol
LogP6.07
Rot. Bonds3

About N-(2-iodophenyl)-2-methyl-4-phenylquinoline-3-carboxamide

N-(2-iodophenyl)-2-methyl-4-phenylquinoline-3-carboxamide (PubChem CID 134138354) has the molecular formula C23H17IN2O and a molecular weight of 464.31 g/mol. Its IUPAC name is N-(2-iodophenyl)-2-methyl-4-phenylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-2-methyl-4-phenylquinoline-3-carboxamide
PubChem CID134138354
Molecular FormulaC23H17IN2O
Molecular Weight464.31 g/mol
Exact Mass464.04
IUPAC NameN-(2-iodophenyl)-2-methyl-4-phenylquinoline-3-carboxamide
SMILESCc1nc2ccccc2c(-c2ccccc2)c1C(=O)Nc1ccccc1I
InChIInChI=1S/C23H17IN2O/c1-15-21(23(27)26-20-14-8-6-12-18(20)24)22(16-9-3-2-4-10-16)17-11-5-7-13-19(17)25-15/h2-14H,1H3,(H,26,27)
InChIKeyBQWNDAFLIDRHSZ-UHFFFAOYSA-N
XLogP6.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.31
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-difluorophenyl)-2-methyl-4-phenylquinoline-3-carboxamide;hydrochloride
CID 42914787
2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 8966624
N'-amino-2-methyl-4-phenylquinoline-3-carboximidamide
CID 144584922
4-amino-N-(2-iodophenyl)quinoline-2-carboxamide
CID 63375620
1-[4-(4-methoxyphenyl)-2-methylquinolin-3-yl]ethanone
CID 672266
2-iodo-N-(2-methylquinolin-4-yl)benzamide
CID 60653788
N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 769490
N-(2-iodophenyl)naphthalene-1-carboxamide
CID 11660752
6-chloro-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylquinoline-3-carboxamide
CID 24614620
6-chloro-N-(4-methoxyphenyl)-2-methyl-4-phenylquinoline-3-carboxamide
CID 8966053
4-phenylquinoline-2,3-dicarboxylic acid
CID 23469806
2-methyl-6-phenyl-N-quinolin-5-ylpyridine-3-carboxamide
CID 34130475

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-2-methyl-4-phenylquinoline-3-carboxamide?
The IUPAC name of N-(2-iodophenyl)-2-methyl-4-phenylquinoline-3-carboxamide (CID 134138354) is N-(2-iodophenyl)-2-methyl-4-phenylquinoline-3-carboxamide.
What is the SMILES notation for N-(2-iodophenyl)-2-methyl-4-phenylquinoline-3-carboxamide?
The canonical SMILES for N-(2-iodophenyl)-2-methyl-4-phenylquinoline-3-carboxamide is Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)Nc1ccccc1I.
What is the InChIKey of N-(2-iodophenyl)-2-methyl-4-phenylquinoline-3-carboxamide?
The InChIKey is BQWNDAFLIDRHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17IN2O/c1-15-21(23(27)26-20-14-8-6-12-18(20)24)22(16-9-3-2-4-10-16)17-11-5-7-13-19(17)25-15/h2-14H,1H3,(H,26,27).
What are the key properties of N-(2-iodophenyl)-2-methyl-4-phenylquinoline-3-carboxamide?
N-(2-iodophenyl)-2-methyl-4-phenylquinoline-3-carboxamide has a molecular weight of 464.31 g/mol, XLogP of 6.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-2-methyl-4-phenylquinoline-3-carboxamide is sourced from PubChem (CID 134138354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).