N-(4-chloro-3-nitrophenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide

C23H15Cl2N3O3 — CID 3258904

IUPACN-(4-chloro-3-nitrophenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
SMILESCc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C23H15Cl2N3O3/c1-13-21(23(29)26-16-10-11-18(25)20(12-16)28(30)31)17-4-2-3-5-19(17)27-22(13)14-6-8-15(24)9-7-14/h2-12H,1H3,(H,26,29)
InChIKeyRLIZAPBMVOIWPY-UHFFFAOYSA-N
MW452.30 g/mol
LogP6.68
Rot. Bonds4

About N-(4-chloro-3-nitrophenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide

N-(4-chloro-3-nitrophenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide (PubChem CID 3258904) has the molecular formula C23H15Cl2N3O3 and a molecular weight of 452.30 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
PubChem CID3258904
Molecular FormulaC23H15Cl2N3O3
Molecular Weight452.30 g/mol
Exact Mass451.05
IUPAC NameN-(4-chloro-3-nitrophenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
SMILESCc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C23H15Cl2N3O3/c1-13-21(23(29)26-16-10-11-18(25)20(12-16)28(30)31)17-4-2-3-5-19(17)27-22(13)14-6-8-15(24)9-7-14/h2-12H,1H3,(H,26,29)
InChIKeyRLIZAPBMVOIWPY-UHFFFAOYSA-N
XLogP6.68
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.30
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
CID 3279592
2-(4-methoxyphenyl)-3-methyl-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 3479572
3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide
CID 3540473
3-methyl-2-(4-methylphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4642101
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]ethyl]-3-methylquinoline-4-carboxamide
CID 4160455
2-(4-methoxyphenyl)-3-methyl-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4115326
2-(4-chlorophenyl)-N-[4-[4-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]-3-methylquinoline-4-carboxamide
CID 3533143
[2-(4-chloro-3-nitrophenyl)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
CID 2243963
4-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoic acid
CID 3395284
N-(4-acetylphenyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1312279
2-(2,4-dichlorophenyl)-N-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 2259444
2-(4-chlorophenyl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 5142369

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide (CID 3258904) is N-(4-chloro-3-nitrophenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide is Cc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide?
The InChIKey is RLIZAPBMVOIWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2N3O3/c1-13-21(23(29)26-16-10-11-18(25)20(12-16)28(30)31)17-4-2-3-5-19(17)27-22(13)14-6-8-15(24)9-7-14/h2-12H,1H3,(H,26,29).
What are the key properties of N-(4-chloro-3-nitrophenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide?
N-(4-chloro-3-nitrophenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide has a molecular weight of 452.30 g/mol, XLogP of 6.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide is sourced from PubChem (CID 3258904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).