N-[3-(1-methylimidazol-2-yl)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide

C20H16N4O2 — CID 136523152

IUPACN-[3-(1-methylimidazol-2-yl)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide
SMILESCn1ccnc1-c1cccc(NC(=O)c2cc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C20H16N4O2/c1-24-10-9-21-18(24)14-6-4-7-15(11-14)22-20(26)17-12-13-5-2-3-8-16(13)19(25)23-17/h2-12H,1H3,(H,22,26)(H,23,25)
InChIKeyJLVKAGNZNJYDBF-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.18
Rot. Bonds3

About N-[3-(1-methylimidazol-2-yl)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide

N-[3-(1-methylimidazol-2-yl)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide (PubChem CID 136523152) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[3-(1-methylimidazol-2-yl)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1-methylimidazol-2-yl)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide
PubChem CID136523152
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC NameN-[3-(1-methylimidazol-2-yl)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide
SMILESCn1ccnc1-c1cccc(NC(=O)c2cc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C20H16N4O2/c1-24-10-9-21-18(24)14-6-4-7-15(11-14)22-20(26)17-12-13-5-2-3-8-16(13)19(25)23-17/h2-12H,1H3,(H,22,26)(H,23,25)
InChIKeyJLVKAGNZNJYDBF-UHFFFAOYSA-N
XLogP3.18
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1-methylimidazol-2-yl)phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 136578744
5-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 60557129
N-[3-(1-methylimidazol-2-yl)phenyl]furan-2-carboxamide
CID 136578540
N-(4-tert-butylphenyl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 40671457
N-[3-[1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 139349821
N-[3-(1-methylimidazol-2-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 84584319
N-(3,4-difluorophenyl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 78802764
1-(2-hydroxyethyl)-1-methyl-3-[3-(1-methylimidazol-2-yl)phenyl]urea
CID 111453463
N-(4-methyl-1,3-benzothiazol-2-yl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 9022865
3-ethyl-6-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]pyridazine-4-carboxamide
CID 136530773
1-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2H-isoquinoline-3-carboxamide
CID 78813070
4-(1,3-dithian-2-yl)-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide
CID 87008562

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylimidazol-2-yl)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide?
The IUPAC name of N-[3-(1-methylimidazol-2-yl)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide (CID 136523152) is N-[3-(1-methylimidazol-2-yl)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide.
What is the SMILES notation for N-[3-(1-methylimidazol-2-yl)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide?
The canonical SMILES for N-[3-(1-methylimidazol-2-yl)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide is Cn1ccnc1-c1cccc(NC(=O)c2cc3ccccc3c(=O)[nH]2)c1.
What is the InChIKey of N-[3-(1-methylimidazol-2-yl)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide?
The InChIKey is JLVKAGNZNJYDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-24-10-9-21-18(24)14-6-4-7-15(11-14)22-20(26)17-12-13-5-2-3-8-16(13)19(25)23-17/h2-12H,1H3,(H,22,26)(H,23,25).
What are the key properties of N-[3-(1-methylimidazol-2-yl)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide?
N-[3-(1-methylimidazol-2-yl)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylimidazol-2-yl)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide is sourced from PubChem (CID 136523152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).