5-cyano-3-imidazol-1-ylisoquinoline-1-carboxylic acid

C14H8N4O2 — CID 172628262

IUPAC5-cyano-3-imidazol-1-ylisoquinoline-1-carboxylic acid
SMILESN#Cc1cccc2c(C(=O)O)nc(-n3ccnc3)cc12
InChIInChI=1S/C14H8N4O2/c15-7-9-2-1-3-10-11(9)6-12(17-13(10)14(19)20)18-5-4-16-8-18/h1-6,8H,(H,19,20)
InChIKeyGCOMNMBAOTXBDM-UHFFFAOYSA-N
MW264.24 g/mol
LogP1.99
Rot. Bonds2

About 5-cyano-3-imidazol-1-ylisoquinoline-1-carboxylic acid

5-cyano-3-imidazol-1-ylisoquinoline-1-carboxylic acid (PubChem CID 172628262) has the molecular formula C14H8N4O2 and a molecular weight of 264.24 g/mol. Its IUPAC name is 5-cyano-3-imidazol-1-ylisoquinoline-1-carboxylic acid.

Molecular Properties

Compound Name5-cyano-3-imidazol-1-ylisoquinoline-1-carboxylic acid
PubChem CID172628262
Molecular FormulaC14H8N4O2
Molecular Weight264.24 g/mol
Exact Mass264.06
IUPAC Name5-cyano-3-imidazol-1-ylisoquinoline-1-carboxylic acid
SMILESN#Cc1cccc2c(C(=O)O)nc(-n3ccnc3)cc12
InChIInChI=1S/C14H8N4O2/c15-7-9-2-1-3-10-11(9)6-12(17-13(10)14(19)20)18-5-4-16-8-18/h1-6,8H,(H,19,20)
InChIKeyGCOMNMBAOTXBDM-UHFFFAOYSA-N
XLogP1.99
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-imidazol-1-ylquinazoline-4-carboxamide
CID 172628387
2-(3-cyano-4-imidazol-1-ylphenyl)-5-hydroxypyridine-4-carboxylic acid
CID 45377527
7-cyano-3-imidazol-1-yl-N-(4-methoxycyclohexyl)isoquinoline-1-carboxamide
CID 172628369
methyl 5-cyanoisoquinoline-1-carboxylate
CID 82572062
(E)-2-cyano-3-(3-imidazol-1-ylphenyl)prop-2-enamide
CID 52938385
[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 50944512
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-3-methoxybenzamide
CID 121073870
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-naphthalen-1-ylacetamide
CID 122291584
6-imidazol-1-yl-N-phenylpyridine-2-carboxamide
CID 97260029
3-(3-cyano-2-fluorophenyl)pyridine-2-carboxylic acid
CID 53223141
3-ethyl-4-imidazol-1-ylbenzoic acid
CID 84681695
N-[(4-chlorophenyl)methyl]-2-imidazol-1-ylquinoline-4-carboxamide
CID 175093901

Frequently Asked Questions

What is the IUPAC name of 5-cyano-3-imidazol-1-ylisoquinoline-1-carboxylic acid?
The IUPAC name of 5-cyano-3-imidazol-1-ylisoquinoline-1-carboxylic acid (CID 172628262) is 5-cyano-3-imidazol-1-ylisoquinoline-1-carboxylic acid.
What is the SMILES notation for 5-cyano-3-imidazol-1-ylisoquinoline-1-carboxylic acid?
The canonical SMILES for 5-cyano-3-imidazol-1-ylisoquinoline-1-carboxylic acid is N#Cc1cccc2c(C(=O)O)nc(-n3ccnc3)cc12.
What is the InChIKey of 5-cyano-3-imidazol-1-ylisoquinoline-1-carboxylic acid?
The InChIKey is GCOMNMBAOTXBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N4O2/c15-7-9-2-1-3-10-11(9)6-12(17-13(10)14(19)20)18-5-4-16-8-18/h1-6,8H,(H,19,20).
What are the key properties of 5-cyano-3-imidazol-1-ylisoquinoline-1-carboxylic acid?
5-cyano-3-imidazol-1-ylisoquinoline-1-carboxylic acid has a molecular weight of 264.24 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-3-imidazol-1-ylisoquinoline-1-carboxylic acid is sourced from PubChem (CID 172628262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).