N-[(3-methylthiophen-2-yl)methyl]quinoline-2-carboxamide

C16H14N2OS — CID 32958855

IUPACN-[(3-methylthiophen-2-yl)methyl]quinoline-2-carboxamide
SMILESCc1ccsc1CNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C16H14N2OS/c1-11-8-9-20-15(11)10-17-16(19)14-7-6-12-4-2-3-5-13(12)18-14/h2-9H,10H2,1H3,(H,17,19)
InChIKeyLIZRGYUKUHKWAU-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.53
Rot. Bonds3

About N-[(3-methylthiophen-2-yl)methyl]quinoline-2-carboxamide

N-[(3-methylthiophen-2-yl)methyl]quinoline-2-carboxamide (PubChem CID 32958855) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]quinoline-2-carboxamide
PubChem CID32958855
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]quinoline-2-carboxamide
SMILESCc1ccsc1CNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C16H14N2OS/c1-11-8-9-20-15(11)10-17-16(19)14-7-6-12-4-2-3-5-13(12)18-14/h2-9H,10H2,1H3,(H,17,19)
InChIKeyLIZRGYUKUHKWAU-UHFFFAOYSA-N
XLogP3.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 78989446
N-(pyridin-2-ylmethyl)quinoline-2-carboxamide
CID 712665
5-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 47163642
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-[[4-(hydroxymethyl)phenyl]methyl]quinoline-2-carboxamide
CID 68840052
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
5-chloro-N-[(3-methylthiophen-2-yl)methyl]pyrazine-2-carboxamide
CID 103803792
3-hydroxy-N-[(3-methylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 78990763
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]quinoline-2-carboxamide
CID 2474991
N-(2-oxoethyl)quinoline-2-carboxamide
CID 134322736
N-[2-(ethylamino)-2-oxoethyl]quinoline-2-carboxamide
CID 9224319
dimethyl-[(1S)-2-(quinoline-2-carbonylamino)-1-thiophen-2-ylethyl]azanium
CID 2474988

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]quinoline-2-carboxamide?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]quinoline-2-carboxamide (CID 32958855) is N-[(3-methylthiophen-2-yl)methyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]quinoline-2-carboxamide?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]quinoline-2-carboxamide is Cc1ccsc1CNC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]quinoline-2-carboxamide?
The InChIKey is LIZRGYUKUHKWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-11-8-9-20-15(11)10-17-16(19)14-7-6-12-4-2-3-5-13(12)18-14/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]quinoline-2-carboxamide?
N-[(3-methylthiophen-2-yl)methyl]quinoline-2-carboxamide has a molecular weight of 282.37 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]quinoline-2-carboxamide is sourced from PubChem (CID 32958855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).