2-(5-methylthiophen-2-yl)-N-naphthalen-1-ylquinoline-4-carboxamide

C25H18N2OS — CID 4137703

IUPAC2-(5-methylthiophen-2-yl)-N-naphthalen-1-ylquinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cccc4ccccc34)c3ccccc3n2)s1
InChIInChI=1S/C25H18N2OS/c1-16-13-14-24(29-16)23-15-20(19-10-4-5-11-22(19)26-23)25(28)27-21-12-6-8-17-7-2-3-9-18(17)21/h2-15H,1H3,(H,27,28)
InChIKeyKVFWAWLVMWRGPC-UHFFFAOYSA-N
MW394.50 g/mol
LogP6.68
Rot. Bonds3

About 2-(5-methylthiophen-2-yl)-N-naphthalen-1-ylquinoline-4-carboxamide

2-(5-methylthiophen-2-yl)-N-naphthalen-1-ylquinoline-4-carboxamide (PubChem CID 4137703) has the molecular formula C25H18N2OS and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-N-naphthalen-1-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-N-naphthalen-1-ylquinoline-4-carboxamide
PubChem CID4137703
Molecular FormulaC25H18N2OS
Molecular Weight394.50 g/mol
Exact Mass394.11
IUPAC Name2-(5-methylthiophen-2-yl)-N-naphthalen-1-ylquinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cccc4ccccc34)c3ccccc3n2)s1
InChIInChI=1S/C25H18N2OS/c1-16-13-14-24(29-16)23-15-20(19-10-4-5-11-22(19)26-23)25(28)27-21-12-6-8-17-7-2-3-9-18(17)21/h2-15H,1H3,(H,27,28)
InChIKeyKVFWAWLVMWRGPC-UHFFFAOYSA-N
XLogP6.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.50
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 1009474
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 5207442
2-(5-chlorothiophen-2-yl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 3457981
N-(2-chloro-4-nitrophenyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 4591737
2-(5-methylthiophen-2-yl)quinoline-4-carbonyl chloride
CID 46779249
N-naphthalen-1-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 25180097
2-(5-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide
CID 19685073
2-(5-methylthiophen-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 3400866
2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylquinoline-4-carboxamide
CID 3253298
2-(5-chlorothiophen-2-yl)-N-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4183460
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 4167956
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 4137707

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-N-naphthalen-1-ylquinoline-4-carboxamide?
The IUPAC name of 2-(5-methylthiophen-2-yl)-N-naphthalen-1-ylquinoline-4-carboxamide (CID 4137703) is 2-(5-methylthiophen-2-yl)-N-naphthalen-1-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-N-naphthalen-1-ylquinoline-4-carboxamide?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-N-naphthalen-1-ylquinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3cccc4ccccc34)c3ccccc3n2)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-N-naphthalen-1-ylquinoline-4-carboxamide?
The InChIKey is KVFWAWLVMWRGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2OS/c1-16-13-14-24(29-16)23-15-20(19-10-4-5-11-22(19)26-23)25(28)27-21-12-6-8-17-7-2-3-9-18(17)21/h2-15H,1H3,(H,27,28).
What are the key properties of 2-(5-methylthiophen-2-yl)-N-naphthalen-1-ylquinoline-4-carboxamide?
2-(5-methylthiophen-2-yl)-N-naphthalen-1-ylquinoline-4-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 6.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-N-naphthalen-1-ylquinoline-4-carboxamide is sourced from PubChem (CID 4137703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).