7-methyl-3-[(thiophen-2-ylmethylamino)methyl]-1H-quinolin-2-one

C16H16N2OS — CID 860989

IUPAC7-methyl-3-[(thiophen-2-ylmethylamino)methyl]-1H-quinolin-2-one
SMILESCc1ccc2cc(CNCc3cccs3)c(=O)[nH]c2c1
InChIInChI=1S/C16H16N2OS/c1-11-4-5-12-8-13(16(19)18-15(12)7-11)9-17-10-14-3-2-6-20-14/h2-8,17H,9-10H2,1H3,(H,18,19)
InChIKeyVYFZXTWINZSSMY-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.19
Rot. Bonds4

About 7-methyl-3-[(thiophen-2-ylmethylamino)methyl]-1H-quinolin-2-one

7-methyl-3-[(thiophen-2-ylmethylamino)methyl]-1H-quinolin-2-one (PubChem CID 860989) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 7-methyl-3-[(thiophen-2-ylmethylamino)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-methyl-3-[(thiophen-2-ylmethylamino)methyl]-1H-quinolin-2-one
PubChem CID860989
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name7-methyl-3-[(thiophen-2-ylmethylamino)methyl]-1H-quinolin-2-one
SMILESCc1ccc2cc(CNCc3cccs3)c(=O)[nH]c2c1
InChIInChI=1S/C16H16N2OS/c1-11-4-5-12-8-13(16(19)18-15(12)7-11)9-17-10-14-3-2-6-20-14/h2-8,17H,9-10H2,1H3,(H,18,19)
InChIKeyVYFZXTWINZSSMY-UHFFFAOYSA-N
XLogP3.19
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 1452960
7-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 664663
3-[[2-(dimethylamino)ethylamino]methyl]-7-methyl-1H-quinolin-2-one
CID 3171688
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 53274257
7-methyl-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]-1H-quinolin-2-one
CID 863831
3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324619
1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)thiourea
CID 1141423
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 1161660
3-[(cyclopentylamino)methyl]-7-methyl-1H-quinolin-2-one
CID 863818
3-[(2-hydroxyanilino)methyl]-7-methyl-1H-quinolin-2-one;hydrobromide
CID 171669839
4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324590
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)thiophene-2-carboxamide
CID 1388799

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[(thiophen-2-ylmethylamino)methyl]-1H-quinolin-2-one?
The IUPAC name of 7-methyl-3-[(thiophen-2-ylmethylamino)methyl]-1H-quinolin-2-one (CID 860989) is 7-methyl-3-[(thiophen-2-ylmethylamino)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-methyl-3-[(thiophen-2-ylmethylamino)methyl]-1H-quinolin-2-one?
The canonical SMILES for 7-methyl-3-[(thiophen-2-ylmethylamino)methyl]-1H-quinolin-2-one is Cc1ccc2cc(CNCc3cccs3)c(=O)[nH]c2c1.
What is the InChIKey of 7-methyl-3-[(thiophen-2-ylmethylamino)methyl]-1H-quinolin-2-one?
The InChIKey is VYFZXTWINZSSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-11-4-5-12-8-13(16(19)18-15(12)7-11)9-17-10-14-3-2-6-20-14/h2-8,17H,9-10H2,1H3,(H,18,19).
What are the key properties of 7-methyl-3-[(thiophen-2-ylmethylamino)methyl]-1H-quinolin-2-one?
7-methyl-3-[(thiophen-2-ylmethylamino)methyl]-1H-quinolin-2-one has a molecular weight of 284.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[(thiophen-2-ylmethylamino)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 860989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).