N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide

C18H20N2O2S — CID 18162223

IUPACN-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCN(Cc1cccs1)C(=O)CCC1Cc2ccccc2NC1=O
InChIInChI=1S/C18H20N2O2S/c1-20(12-15-6-4-10-23-15)17(21)9-8-14-11-13-5-2-3-7-16(13)19-18(14)22/h2-7,10,14H,8-9,11-12H2,1H3,(H,19,22)
InChIKeyHQSMTNWTFQRXBW-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.30
Rot. Bonds5

About N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide

N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 18162223) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID18162223
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCN(Cc1cccs1)C(=O)CCC1Cc2ccccc2NC1=O
InChIInChI=1S/C18H20N2O2S/c1-20(12-15-6-4-10-23-15)17(21)9-8-14-11-13-5-2-3-7-16(13)19-18(14)22/h2-7,10,14H,8-9,11-12H2,1H3,(H,19,22)
InChIKeyHQSMTNWTFQRXBW-UHFFFAOYSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 18142208
N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16622329
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 111543322
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 119653931
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 18142585
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 25473622
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
N-benzyl-N-butan-2-yl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 43042321
3-(2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 145472008
2-[cyclopropyl-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]amino]propanoic acid
CID 119203368
3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 115139118
N-(3,5-dimethylphenyl)-N-ethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 55592669

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide (CID 18162223) is N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide is CN(Cc1cccs1)C(=O)CCC1Cc2ccccc2NC1=O.
What is the InChIKey of N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is HQSMTNWTFQRXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-20(12-15-6-4-10-23-15)17(21)9-8-14-11-13-5-2-3-7-16(13)19-18(14)22/h2-7,10,14H,8-9,11-12H2,1H3,(H,19,22).
What are the key properties of N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide?
N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 328.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 18162223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).