N-[(3-methylthiophen-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C16H16N2O2S — CID 46449099

IUPACN-[(3-methylthiophen-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCc1ccsc1CNC(=O)C1CC(=O)Nc2ccccc21
InChIInChI=1S/C16H16N2O2S/c1-10-6-7-21-14(10)9-17-16(20)12-8-15(19)18-13-5-3-2-4-11(12)13/h2-7,12H,8-9H2,1H3,(H,17,20)(H,18,19)
InChIKeyZZZICBIXACIZOG-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.80
Rot. Bonds3

About N-[(3-methylthiophen-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-[(3-methylthiophen-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 46449099) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID46449099
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCc1ccsc1CNC(=O)C1CC(=O)Nc2ccccc21
InChIInChI=1S/C16H16N2O2S/c1-10-6-7-21-14(10)9-17-16(20)12-8-15(19)18-13-5-3-2-4-11(12)13/h2-7,12H,8-9H2,1H3,(H,17,20)(H,18,19)
InChIKeyZZZICBIXACIZOG-UHFFFAOYSA-N
XLogP2.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94171644
N-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42884361
N-(2-acetamidoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110702913
N-[2-(methylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119503581
2-methyl-5-[[[(4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 129352969
N-(2-aminoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119384935
7-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136813
2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17493174
(4R)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51956671
N-[2-[methyl-[(4-methylphenyl)methyl]amino]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 166370652
(4S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94017875
(4R)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94022869

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 46449099) is N-[(3-methylthiophen-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is Cc1ccsc1CNC(=O)C1CC(=O)Nc2ccccc21.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is ZZZICBIXACIZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-10-6-7-21-14(10)9-17-16(20)12-8-15(19)18-13-5-3-2-4-11(12)13/h2-7,12H,8-9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-[(3-methylthiophen-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 46449099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).