2,7,8-trimethylquinoline-4-carboxamide

C13H14N2O — CID 82574045

IUPAC2,7,8-trimethylquinoline-4-carboxamide
SMILESCc1cc(C(N)=O)c2ccc(C)c(C)c2n1
InChIInChI=1S/C13H14N2O/c1-7-4-5-10-11(13(14)16)6-8(2)15-12(10)9(7)3/h4-6H,1-3H3,(H2,14,16)
InChIKeyQPBSOEQKCFLCLO-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.26
Rot. Bonds1

About 2,7,8-trimethylquinoline-4-carboxamide

2,7,8-trimethylquinoline-4-carboxamide (PubChem CID 82574045) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2,7,8-trimethylquinoline-4-carboxamide.

Molecular Properties

Compound Name2,7,8-trimethylquinoline-4-carboxamide
PubChem CID82574045
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2,7,8-trimethylquinoline-4-carboxamide
SMILESCc1cc(C(N)=O)c2ccc(C)c(C)c2n1
InChIInChI=1S/C13H14N2O/c1-7-4-5-10-11(13(14)16)6-8(2)15-12(10)9(7)3/h4-6H,1-3H3,(H2,14,16)
InChIKeyQPBSOEQKCFLCLO-UHFFFAOYSA-N
XLogP2.26
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2,7,8-trimethylquinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 46997983
2,7,8-trimethylquinoline-4-carbaldehyde
CID 82448404
8-ethoxy-2-methylquinoline-4-carboxamide
CID 82574053
7-chloro-2-methylquinoline-4-carboxamide
CID 82574049
N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2,7,8-trimethylquinoline-4-carboxamide
CID 70762663
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2,7,8-trimethylquinoline-4-carboxamide
CID 70747319
7,8-dimethyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylate
CID 4513061
5,8-difluoro-2-methylquinoline-4-carboxamide
CID 82574050
N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2,7,8-trimethylquinoline-4-carboxamide
CID 133116951
2-(5-bromothiophen-2-yl)-7,8-dimethylquinoline-4-carboxylic acid
CID 63462150
2-tert-butyl-7,8-dimethylquinoline-4-carbohydrazide
CID 82448500
2-methyl-7-(trifluoromethyl)quinoline-4-carboxamide
CID 82574068

Frequently Asked Questions

What is the IUPAC name of 2,7,8-trimethylquinoline-4-carboxamide?
The IUPAC name of 2,7,8-trimethylquinoline-4-carboxamide (CID 82574045) is 2,7,8-trimethylquinoline-4-carboxamide.
What is the SMILES notation for 2,7,8-trimethylquinoline-4-carboxamide?
The canonical SMILES for 2,7,8-trimethylquinoline-4-carboxamide is Cc1cc(C(N)=O)c2ccc(C)c(C)c2n1.
What is the InChIKey of 2,7,8-trimethylquinoline-4-carboxamide?
The InChIKey is QPBSOEQKCFLCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-7-4-5-10-11(13(14)16)6-8(2)15-12(10)9(7)3/h4-6H,1-3H3,(H2,14,16).
What are the key properties of 2,7,8-trimethylquinoline-4-carboxamide?
2,7,8-trimethylquinoline-4-carboxamide has a molecular weight of 214.27 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,8-trimethylquinoline-4-carboxamide is sourced from PubChem (CID 82574045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).