2-(4-chlorophenyl)-3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide

C30H20ClN3OS — CID 4052157

IUPAC2-(4-chlorophenyl)-3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESCc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)Nc1nc(-c2cccc3ccccc23)cs1
InChIInChI=1S/C30H20ClN3OS/c1-18-27(24-10-4-5-12-25(24)32-28(18)20-13-15-21(31)16-14-20)29(35)34-30-33-26(17-36-30)23-11-6-8-19-7-2-3-9-22(19)23/h2-17H,1H3,(H,33,34,35)
InChIKeyNYJJXVTUXFKNGO-UHFFFAOYSA-N
MW506.03 g/mol
LogP8.39
Rot. Bonds4

About 2-(4-chlorophenyl)-3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide

2-(4-chlorophenyl)-3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide (PubChem CID 4052157) has the molecular formula C30H20ClN3OS and a molecular weight of 506.03 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
PubChem CID4052157
Molecular FormulaC30H20ClN3OS
Molecular Weight506.03 g/mol
Exact Mass505.10
IUPAC Name2-(4-chlorophenyl)-3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESCc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)Nc1nc(-c2cccc3ccccc23)cs1
InChIInChI=1S/C30H20ClN3OS/c1-18-27(24-10-4-5-12-25(24)32-28(18)20-13-15-21(31)16-14-20)29(35)34-30-33-26(17-36-30)23-11-6-8-19-7-2-3-9-22(19)23/h2-17H,1H3,(H,33,34,35)
InChIKeyNYJJXVTUXFKNGO-UHFFFAOYSA-N
XLogP8.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.03
LogP ≤ 58.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 3497101
2-(4-chlorophenyl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 5142369
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
CID 4118726
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylquinoline-4-carboxamide
CID 3624127
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 5196863
2-(4-methoxyphenyl)-3-methyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 3308982
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 5142108
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]ethyl]-3-methylquinoline-4-carboxamide
CID 4160455
N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
CID 4598945
methyl 4-(4-chlorophenyl)-2-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate
CID 4607107
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2127353
3-methyl-2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 4101580

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide (CID 4052157) is 2-(4-chlorophenyl)-3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide is Cc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)Nc1nc(-c2cccc3ccccc23)cs1.
What is the InChIKey of 2-(4-chlorophenyl)-3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is NYJJXVTUXFKNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20ClN3OS/c1-18-27(24-10-4-5-12-25(24)32-28(18)20-13-15-21(31)16-14-20)29(35)34-30-33-26(17-36-30)23-11-6-8-19-7-2-3-9-22(19)23/h2-17H,1H3,(H,33,34,35).
What are the key properties of 2-(4-chlorophenyl)-3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
2-(4-chlorophenyl)-3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 506.03 g/mol, XLogP of 8.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 4052157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).