3-amino-8-benzylimidazo[4,5-g]cinnoline-4-carboxamide

C17H14N6O — CID 13449223

IUPAC3-amino-8-benzylimidazo[4,5-g]cinnoline-4-carboxamide
SMILESNC(=O)c1c(N)nnc2cc3c(cc12)ncn3Cc1ccccc1
InChIInChI=1S/C17H14N6O/c18-16-15(17(19)24)11-6-13-14(7-12(11)21-22-16)23(9-20-13)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,18,22)(H2,19,24)
InChIKeyMIEIULJIDNXREB-UHFFFAOYSA-N
MW318.34 g/mol
LogP1.71
Rot. Bonds3

About 3-amino-8-benzylimidazo[4,5-g]cinnoline-4-carboxamide

3-amino-8-benzylimidazo[4,5-g]cinnoline-4-carboxamide (PubChem CID 13449223) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is 3-amino-8-benzylimidazo[4,5-g]cinnoline-4-carboxamide.

Molecular Properties

Compound Name3-amino-8-benzylimidazo[4,5-g]cinnoline-4-carboxamide
PubChem CID13449223
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC Name3-amino-8-benzylimidazo[4,5-g]cinnoline-4-carboxamide
SMILESNC(=O)c1c(N)nnc2cc3c(cc12)ncn3Cc1ccccc1
InChIInChI=1S/C17H14N6O/c18-16-15(17(19)24)11-6-13-14(7-12(11)21-22-16)23(9-20-13)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,18,22)(H2,19,24)
InChIKeyMIEIULJIDNXREB-UHFFFAOYSA-N
XLogP1.71
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzylbenzimidazol-5-amine;trihydrochloride
CID 53422372
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CID 12620837
3-benzylbenzimidazole-5-carbaldehyde
CID 143880191
1-benzyl-5-isocyanobenzimidazole
CID 140845939
5-amino-1-benzylpyrido[4,3-d]pyrimidin-4-one
CID 13258439
1-benzyl-5-methoxybenzimidazole
CID 10900689
7-amino-3-benzyl-6-bromoquinazolin-4-one
CID 102442740
4-[(5,6-dimethoxybenzimidazol-1-yl)methyl]benzoic acid
CID 94723431
3-[1-[(4-hydroxyphenyl)methyl]benzimidazol-5-yl]propanamide
CID 143018767
3-[(4-chlorophenyl)methyl]benzimidazole-5-carboxylic acid
CID 59172196
3-benzylbenzimidazole-4-carboxylic acid
CID 83413316
3-[3-(benzimidazol-1-ylmethyl)phenyl]prop-2-enoic acid
CID 76908174

Frequently Asked Questions

What is the IUPAC name of 3-amino-8-benzylimidazo[4,5-g]cinnoline-4-carboxamide?
The IUPAC name of 3-amino-8-benzylimidazo[4,5-g]cinnoline-4-carboxamide (CID 13449223) is 3-amino-8-benzylimidazo[4,5-g]cinnoline-4-carboxamide.
What is the SMILES notation for 3-amino-8-benzylimidazo[4,5-g]cinnoline-4-carboxamide?
The canonical SMILES for 3-amino-8-benzylimidazo[4,5-g]cinnoline-4-carboxamide is NC(=O)c1c(N)nnc2cc3c(cc12)ncn3Cc1ccccc1.
What is the InChIKey of 3-amino-8-benzylimidazo[4,5-g]cinnoline-4-carboxamide?
The InChIKey is MIEIULJIDNXREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c18-16-15(17(19)24)11-6-13-14(7-12(11)21-22-16)23(9-20-13)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,18,22)(H2,19,24).
What are the key properties of 3-amino-8-benzylimidazo[4,5-g]cinnoline-4-carboxamide?
3-amino-8-benzylimidazo[4,5-g]cinnoline-4-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-8-benzylimidazo[4,5-g]cinnoline-4-carboxamide is sourced from PubChem (CID 13449223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).