1-cinnolin-4-ylimidazole-4-carboxylic acid

C12H8N4O2 — CID 63586408

IUPAC1-cinnolin-4-ylimidazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2cnnc3ccccc23)cn1
InChIInChI=1S/C12H8N4O2/c17-12(18)10-6-16(7-13-10)11-5-14-15-9-4-2-1-3-8(9)11/h1-7H,(H,17,18)
InChIKeyCKMPAZPPBPUKEX-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.51
Rot. Bonds2

About 1-cinnolin-4-ylimidazole-4-carboxylic acid

1-cinnolin-4-ylimidazole-4-carboxylic acid (PubChem CID 63586408) has the molecular formula C12H8N4O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-cinnolin-4-ylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-cinnolin-4-ylimidazole-4-carboxylic acid
PubChem CID63586408
Molecular FormulaC12H8N4O2
Molecular Weight240.22 g/mol
Exact Mass240.06
IUPAC Name1-cinnolin-4-ylimidazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2cnnc3ccccc23)cn1
InChIInChI=1S/C12H8N4O2/c17-12(18)10-6-16(7-13-10)11-5-14-15-9-4-2-1-3-8(9)11/h1-7H,(H,17,18)
InChIKeyCKMPAZPPBPUKEX-UHFFFAOYSA-N
XLogP1.51
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(cinnolin-4-ylamino)ethyl]imidazole-4-carboxylic acid
CID 107498592
1-(2-chlorophenyl)imidazole-4-carboxylic acid
CID 62058406
4-(4-nitroimidazol-1-yl)quinoline-2-carboxylic acid
CID 63374282
1-(2,3-difluorophenyl)imidazole-4-carboxylic acid
CID 62057993
2-(1-cinnolin-4-ylazetidin-3-yl)acetic acid
CID 64618649
2-(1-cinnolin-4-yl-3,5-dimethylpyrazol-4-yl)acetic acid
CID 63586232
1-(2,6-dichlorophenyl)imidazole-4-carboxylic acid
CID 151593948
methyl 4-amino-1-cinnolin-4-ylpyrazole-3-carboxylate
CID 107346195
2-(1-cinnolin-4-yl-3-methylazetidin-3-yl)oxyacetic acid
CID 102657862
1-cinnolin-4-ylimidazole-4,5-dicarbonitrile
CID 112595843
1-(5-carbamoyl-2-nitrophenyl)imidazole-4-carboxylic acid
CID 82994915
1-(2-bromo-5-fluorophenyl)imidazole-4-carboxylic acid
CID 107639020

Frequently Asked Questions

What is the IUPAC name of 1-cinnolin-4-ylimidazole-4-carboxylic acid?
The IUPAC name of 1-cinnolin-4-ylimidazole-4-carboxylic acid (CID 63586408) is 1-cinnolin-4-ylimidazole-4-carboxylic acid.
What is the SMILES notation for 1-cinnolin-4-ylimidazole-4-carboxylic acid?
The canonical SMILES for 1-cinnolin-4-ylimidazole-4-carboxylic acid is O=C(O)c1cn(-c2cnnc3ccccc23)cn1.
What is the InChIKey of 1-cinnolin-4-ylimidazole-4-carboxylic acid?
The InChIKey is CKMPAZPPBPUKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2/c17-12(18)10-6-16(7-13-10)11-5-14-15-9-4-2-1-3-8(9)11/h1-7H,(H,17,18).
What are the key properties of 1-cinnolin-4-ylimidazole-4-carboxylic acid?
1-cinnolin-4-ylimidazole-4-carboxylic acid has a molecular weight of 240.22 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cinnolin-4-ylimidazole-4-carboxylic acid is sourced from PubChem (CID 63586408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).