1-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-(2-phenylethyl)quinoline-4-carboxamide

C25H24N2O2S — CID 55757012

IUPAC1-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-(2-phenylethyl)quinoline-4-carboxamide
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)c2cc(=O)n(C)c3ccccc23)s1
InChIInChI=1S/C25H24N2O2S/c1-18-12-13-20(30-18)17-27(15-14-19-8-4-3-5-9-19)25(29)22-16-24(28)26(2)23-11-7-6-10-21(22)23/h3-13,16H,14-15,17H2,1-2H3
InChIKeyHJKMBHRSXGNHOX-UHFFFAOYSA-N
MW416.55 g/mol
LogP4.79
Rot. Bonds6

About 1-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-(2-phenylethyl)quinoline-4-carboxamide

1-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-(2-phenylethyl)quinoline-4-carboxamide (PubChem CID 55757012) has the molecular formula C25H24N2O2S and a molecular weight of 416.55 g/mol. Its IUPAC name is 1-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-(2-phenylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-(2-phenylethyl)quinoline-4-carboxamide
PubChem CID55757012
Molecular FormulaC25H24N2O2S
Molecular Weight416.55 g/mol
Exact Mass416.16
IUPAC Name1-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-(2-phenylethyl)quinoline-4-carboxamide
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)c2cc(=O)n(C)c3ccccc23)s1
InChIInChI=1S/C25H24N2O2S/c1-18-12-13-20(30-18)17-27(15-14-19-8-4-3-5-9-19)25(29)22-16-24(28)26(2)23-11-7-6-10-21(22)23/h3-13,16H,14-15,17H2,1-2H3
InChIKeyHJKMBHRSXGNHOX-UHFFFAOYSA-N
XLogP4.79
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(5-methylthiophen-2-yl)methyl]-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
CID 47061813
3-cyano-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)benzamide
CID 7995051
N-[(5-methylthiophen-2-yl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylethyl)butanamide
CID 55390613
(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)prop-2-enamide
CID 46538357
N-benzyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694467
3-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-nitro-N-(2-phenylethyl)benzamide
CID 18206620
(2R)-2-(carbamoylamino)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)propanamide
CID 94797374
4-(8-methyl-4-oxoquinazolin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)butanamide
CID 24555681
4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)pentanamide;hydrochloride
CID 120559324
2-(2-methyl-1,3-thiazol-4-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 134008275
N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24586586
2,4-difluoro-N-[3-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-3-oxopropyl]benzamide
CID 24657377

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-(2-phenylethyl)quinoline-4-carboxamide?
The IUPAC name of 1-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-(2-phenylethyl)quinoline-4-carboxamide (CID 55757012) is 1-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-(2-phenylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-(2-phenylethyl)quinoline-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-(2-phenylethyl)quinoline-4-carboxamide is Cc1ccc(CN(CCc2ccccc2)C(=O)c2cc(=O)n(C)c3ccccc23)s1.
What is the InChIKey of 1-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-(2-phenylethyl)quinoline-4-carboxamide?
The InChIKey is HJKMBHRSXGNHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2S/c1-18-12-13-20(30-18)17-27(15-14-19-8-4-3-5-9-19)25(29)22-16-24(28)26(2)23-11-7-6-10-21(22)23/h3-13,16H,14-15,17H2,1-2H3.
What are the key properties of 1-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-(2-phenylethyl)quinoline-4-carboxamide?
1-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-(2-phenylethyl)quinoline-4-carboxamide has a molecular weight of 416.55 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-(2-phenylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 55757012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).