N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide

C16H18N2OS — CID 106901620

IUPACN-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESCc1cscc1CNC(=O)C1CNc2ccccc2C1
InChIInChI=1S/C16H18N2OS/c1-11-9-20-10-14(11)8-18-16(19)13-6-12-4-2-3-5-15(12)17-7-13/h2-5,9-10,13,17H,6-8H2,1H3,(H,18,19)
InChIKeyCKFJFWQMCAYNCU-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.96
Rot. Bonds3

About N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide

N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide (PubChem CID 106901620) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
PubChem CID106901620
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESCc1cscc1CNC(=O)C1CNc2ccccc2C1
InChIInChI=1S/C16H18N2OS/c1-11-9-20-10-14(11)8-18-16(19)13-6-12-4-2-3-5-15(12)17-7-13/h2-5,9-10,13,17H,6-8H2,1H3,(H,18,19)
InChIKeyCKFJFWQMCAYNCU-UHFFFAOYSA-N
XLogP2.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901469
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901391
N-(2-hydroxyethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901213
N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901428
N-pent-3-ynyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901779
N-(3-hydroxypentyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901745
N-(2-cyclobutylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901730
N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106135423
N-[(2S)-1-hydroxypropan-2-yl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 107219186
N-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 115519993
(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 34181194
ethane;ethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 91170420

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide (CID 106901620) is N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide is Cc1cscc1CNC(=O)C1CNc2ccccc2C1.
What is the InChIKey of N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The InChIKey is CKFJFWQMCAYNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-11-9-20-10-14(11)8-18-16(19)13-6-12-4-2-3-5-15(12)17-7-13/h2-5,9-10,13,17H,6-8H2,1H3,(H,18,19).
What are the key properties of N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide?
N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 106901620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).