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

C24H17N3OS — CID 18291417

IUPAC2-methyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c2ccccc2n1
InChIInChI=1S/C24H17N3OS/c1-15-12-20(19-8-4-5-9-21(19)25-15)23(28)27-24-26-22(14-29-24)18-11-10-16-6-2-3-7-17(16)13-18/h2-14H,1H3,(H,26,27,28)
InChIKeyGUASTIUXDZQQQO-UHFFFAOYSA-N
MW395.49 g/mol
LogP6.07
Rot. Bonds3

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

2-methyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide (PubChem CID 18291417) has the molecular formula C24H17N3OS and a molecular weight of 395.49 g/mol. Its IUPAC name is 2-methyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
PubChem CID18291417
Molecular FormulaC24H17N3OS
Molecular Weight395.49 g/mol
Exact Mass395.11
IUPAC Name2-methyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c2ccccc2n1
InChIInChI=1S/C24H17N3OS/c1-15-12-20(19-8-4-5-9-21(19)25-15)23(28)27-24-26-22(14-29-24)18-11-10-16-6-2-3-7-17(16)13-18/h2-14H,1H3,(H,26,27,28)
InChIKeyGUASTIUXDZQQQO-UHFFFAOYSA-N
XLogP6.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.49
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methylthiophen-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 3400866
2-methyl-N-(4-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2085562
N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide
CID 39804997
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide
CID 2102481
1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 5130675
2-(5-methylthiophen-2-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 3275160
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 3120660
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
CID 5151402
2-(3,4-dichlorophenyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 3361056
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 7917223
2-(4-chlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2163412
2-methyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 167925938

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-methyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide (CID 18291417) is 2-methyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-methyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide is Cc1cc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is GUASTIUXDZQQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3OS/c1-15-12-20(19-8-4-5-9-21(19)25-15)23(28)27-24-26-22(14-29-24)18-11-10-16-6-2-3-7-17(16)13-18/h2-14H,1H3,(H,26,27,28).
What are the key properties of 2-methyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
2-methyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 395.49 g/mol, XLogP of 6.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 18291417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).