N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide

C22H18N2OS — CID 27827840

IUPACN-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
SMILESCN(Cc1cccs1)C(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H18N2OS/c1-24(15-17-10-7-13-26-17)22(25)19-14-21(16-8-3-2-4-9-16)23-20-12-6-5-11-18(19)20/h2-14H,15H2,1H3
InChIKeyFUUDKKQPRFXLRM-UHFFFAOYSA-N
MW358.47 g/mol
LogP5.24
Rot. Bonds4

About N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide

N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide (PubChem CID 27827840) has the molecular formula C22H18N2OS and a molecular weight of 358.47 g/mol. Its IUPAC name is N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
PubChem CID27827840
Molecular FormulaC22H18N2OS
Molecular Weight358.47 g/mol
Exact Mass358.11
IUPAC NameN-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
SMILESCN(Cc1cccs1)C(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H18N2OS/c1-24(15-17-10-7-13-26-17)22(25)19-14-21(16-8-3-2-4-9-16)23-20-12-6-5-11-18(19)20/h2-14H,15H2,1H3
InChIKeyFUUDKKQPRFXLRM-UHFFFAOYSA-N
XLogP5.24
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 18208948
N-butyl-N-methyl-2-phenylquinoline-4-carboxamide
CID 27702629
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 16530941
N-benzyl-2-(3,4-dimethylphenyl)-N-methylquinoline-4-carboxamide
CID 995912
2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 4304622
2-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide
CID 7535435
2-(4-bromophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 4182040
N-(2-methoxypropyl)-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 166200011
ethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide
CID 144714320
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 8964759
methyl 4-[methyl-(2-pyridin-4-ylquinoline-4-carbonyl)amino]butanoate
CID 39491212
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 30278783

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide (CID 27827840) is N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide is CN(Cc1cccs1)C(=O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
The InChIKey is FUUDKKQPRFXLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2OS/c1-24(15-17-10-7-13-26-17)22(25)19-14-21(16-8-3-2-4-9-16)23-20-12-6-5-11-18(19)20/h2-14H,15H2,1H3.
What are the key properties of N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 27827840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).