4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]benzamide

C21H18N4O — CID 155295664

IUPAC4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]benzamide
SMILESCc1ccc(C(=O)Nc2cc3cc(-c4cncn4C)ccc3cn2)cc1
InChIInChI=1S/C21H18N4O/c1-14-3-5-15(6-4-14)21(26)24-20-10-18-9-16(7-8-17(18)11-23-20)19-12-22-13-25(19)2/h3-13H,1-2H3,(H,23,24,26)
InChIKeyRMEUSGONLFCGDF-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.20
Rot. Bonds3

About 4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]benzamide

4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]benzamide (PubChem CID 155295664) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]benzamide
PubChem CID155295664
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]benzamide
SMILESCc1ccc(C(=O)Nc2cc3cc(-c4cncn4C)ccc3cn2)cc1
InChIInChI=1S/C21H18N4O/c1-14-3-5-15(6-4-14)21(26)24-20-10-18-9-16(7-8-17(18)11-23-20)19-12-22-13-25(19)2/h3-13H,1-2H3,(H,23,24,26)
InChIKeyRMEUSGONLFCGDF-UHFFFAOYSA-N
XLogP4.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1,3-thiazole-4-carboxamide
CID 138585624
N-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-4-(trideuteriomethyl)benzamide
CID 138588338
N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-methylbenzamide
CID 160845626
6-(3-methylimidazol-4-yl)-N-[3-(2-methylprop-1-enylsulfanyl)buta-1,3-dien-2-yl]isoquinolin-3-amine
CID 142575147
N-[1-(2-methyl-1,3-dihydroisoindol-5-yl)ethenyl]-6-(3-methylimidazol-4-yl)isoquinolin-3-amine
CID 166787296
2-[4-[[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]carbamoyl]piperidin-1-yl]acetic acid
CID 166687835
N-[1-(4,4-difluorocyclohexyl)ethenyl]-6-(3-methylimidazol-4-yl)isoquinolin-3-amine
CID 166954633
2-methoxy-N-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
CID 138590337
2-[4-[[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]carbamoyl]piperidin-1-yl]propanoic acid
CID 166687824
N-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 138587338
5-fluoro-6-[1-[[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]amino]ethenyl]benzene-1,2,3,4-tetrol
CID 138579889
6-(3-methylimidazol-4-yl)-N-(3-piperidin-1-ylbut-1-en-2-yl)isoquinolin-3-amine
CID 166954580

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]benzamide?
The IUPAC name of 4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]benzamide (CID 155295664) is 4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]benzamide?
The canonical SMILES for 4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]benzamide is Cc1ccc(C(=O)Nc2cc3cc(-c4cncn4C)ccc3cn2)cc1.
What is the InChIKey of 4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]benzamide?
The InChIKey is RMEUSGONLFCGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-14-3-5-15(6-4-14)21(26)24-20-10-18-9-16(7-8-17(18)11-23-20)19-12-22-13-25(19)2/h3-13H,1-2H3,(H,23,24,26).
What are the key properties of 4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]benzamide?
4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]benzamide has a molecular weight of 342.40 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]benzamide is sourced from PubChem (CID 155295664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).