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

C30H21N3OS — CID 3497101

IUPAC3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide
SMILESCc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1nc(-c2cccc3ccccc23)cs1
InChIInChI=1S/C30H21N3OS/c1-19-27(24-15-7-8-17-25(24)31-28(19)21-11-3-2-4-12-21)29(34)33-30-32-26(18-35-30)23-16-9-13-20-10-5-6-14-22(20)23/h2-18H,1H3,(H,32,33,34)
InChIKeyCIBWQVYIYVLPLR-UHFFFAOYSA-N
MW471.59 g/mol
LogP7.74
Rot. Bonds4

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

3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide (PubChem CID 3497101) has the molecular formula C30H21N3OS and a molecular weight of 471.59 g/mol. Its IUPAC name is 3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide
PubChem CID3497101
Molecular FormulaC30H21N3OS
Molecular Weight471.59 g/mol
Exact Mass471.14
IUPAC Name3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide
SMILESCc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1nc(-c2cccc3ccccc23)cs1
InChIInChI=1S/C30H21N3OS/c1-19-27(24-15-7-8-17-25(24)31-28(19)21-11-3-2-4-12-21)29(34)33-30-32-26(18-35-30)23-16-9-13-20-10-5-6-14-22(20)23/h2-18H,1H3,(H,32,33,34)
InChIKeyCIBWQVYIYVLPLR-UHFFFAOYSA-N
XLogP7.74
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.59
LogP ≤ 57.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 4052157
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylquinoline-4-carboxamide
CID 3624127
2-(4-methoxyphenyl)-3-methyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 3308982
2-(4-chlorophenyl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 5142369
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 5142108
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]-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 5196863
3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 4079544
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2127353
3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide
CID 3540473
2-[2-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)carbamoyl]phenyl]benzoic acid
CID 3228346
N-(2,6-diethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide
CID 3417174

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of 3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide (CID 3497101) is 3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for 3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide is Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1nc(-c2cccc3ccccc23)cs1.
What is the InChIKey of 3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide?
The InChIKey is CIBWQVYIYVLPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N3OS/c1-19-27(24-15-7-8-17-25(24)31-28(19)21-11-3-2-4-12-21)29(34)33-30-32-26(18-35-30)23-16-9-13-20-10-5-6-14-22(20)23/h2-18H,1H3,(H,32,33,34).
What are the key properties of 3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide?
3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide has a molecular weight of 471.59 g/mol, XLogP of 7.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 3497101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).