N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide

C16H16N2O2S — CID 18103126

IUPACN-methyl-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCN(Cc1cccs1)C(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C16H16N2O2S/c1-18(10-13-3-2-8-21-13)16(20)12-4-6-14-11(9-12)5-7-15(19)17-14/h2-4,6,8-9H,5,7,10H2,1H3,(H,17,19)
InChIKeyNKTKSQLLQACAHE-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.90
Rot. Bonds3

About N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide

N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 18103126) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID18103126
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-methyl-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCN(Cc1cccs1)C(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C16H16N2O2S/c1-18(10-13-3-2-8-21-13)16(20)12-4-6-14-11(9-12)5-7-15(19)17-14/h2-4,6,8-9H,5,7,10H2,1H3,(H,17,19)
InChIKeyNKTKSQLLQACAHE-UHFFFAOYSA-N
XLogP2.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18114829
N-methyl-N-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18103130
3-amino-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527201
N-ethyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-6-carboxamide
CID 102712059
N,2,3-trimethyl-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide
CID 51205761
N-(4-fluorophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(thiophen-2-ylmethyl)acetamide
CID 55891421
1-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
CID 94152809
6-(3-ethylthiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 79985526
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 31641805
N-benzyl-N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 78826066
N-[2-(dimethylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110761841
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712082

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide (CID 18103126) is N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide is CN(Cc1cccs1)C(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is NKTKSQLLQACAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-18(10-13-3-2-8-21-13)16(20)12-4-6-14-11(9-12)5-7-15(19)17-14/h2-4,6,8-9H,5,7,10H2,1H3,(H,17,19).
What are the key properties of N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide?
N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 18103126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).