N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide

C16H14N2O2S — CID 110324370

IUPACN-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
SMILESCc1cccc2cc(CNC(=O)c3cccs3)c(=O)[nH]c12
InChIInChI=1S/C16H14N2O2S/c1-10-4-2-5-11-8-12(15(19)18-14(10)11)9-17-16(20)13-6-3-7-21-13/h2-8H,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyMUXHXDXXHATEPC-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.83
Rot. Bonds3

About N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide

N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide (PubChem CID 110324370) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
PubChem CID110324370
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
SMILESCc1cccc2cc(CNC(=O)c3cccs3)c(=O)[nH]c12
InChIInChI=1S/C16H14N2O2S/c1-10-4-2-5-11-8-12(15(19)18-14(10)11)9-17-16(20)13-6-3-7-21-13/h2-8H,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyMUXHXDXXHATEPC-UHFFFAOYSA-N
XLogP2.83
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]thiophene-2-carboxamide
CID 12006147
3-(ethylaminomethyl)-8-methyl-1H-quinolin-2-one
CID 23009276
8-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 23009265
N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
CID 3296261
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide
CID 110324363
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110324417
4-(dimethylsulfamoyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 110324404
1-(4-chlorophenyl)-3-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110324407
3-ethyl-8-methyl-1H-quinolin-2-one
CID 143939354
8-methyl-3-(3-oxo-3-thiophen-2-ylprop-1-enyl)-1H-quinolin-2-one
CID 2913982
N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide
CID 25105722
3-(1,3-dioxoisoindol-2-yl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110324410

Frequently Asked Questions

What is the IUPAC name of N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide (CID 110324370) is N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide is Cc1cccc2cc(CNC(=O)c3cccs3)c(=O)[nH]c12.
What is the InChIKey of N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide?
The InChIKey is MUXHXDXXHATEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-10-4-2-5-11-8-12(15(19)18-14(10)11)9-17-16(20)13-6-3-7-21-13/h2-8H,9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide?
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 110324370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).