N-(2-imidazol-1-ylethyl)-1-oxo-2H-isoquinoline-4-carboxamide

C15H14N4O2 — CID 110205681

IUPACN-(2-imidazol-1-ylethyl)-1-oxo-2H-isoquinoline-4-carboxamide
SMILESO=C(NCCn1ccnc1)c1c[nH]c(=O)c2ccccc12
InChIInChI=1S/C15H14N4O2/c20-14-12-4-2-1-3-11(12)13(9-18-14)15(21)17-6-8-19-7-5-16-10-19/h1-5,7,9-10H,6,8H2,(H,17,21)(H,18,20)
InChIKeyLXAJTQYAZZFFIC-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.15
Rot. Bonds4

About N-(2-imidazol-1-ylethyl)-1-oxo-2H-isoquinoline-4-carboxamide

N-(2-imidazol-1-ylethyl)-1-oxo-2H-isoquinoline-4-carboxamide (PubChem CID 110205681) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-1-oxo-2H-isoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-1-oxo-2H-isoquinoline-4-carboxamide
PubChem CID110205681
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC NameN-(2-imidazol-1-ylethyl)-1-oxo-2H-isoquinoline-4-carboxamide
SMILESO=C(NCCn1ccnc1)c1c[nH]c(=O)c2ccccc12
InChIInChI=1S/C15H14N4O2/c20-14-12-4-2-1-3-11(12)13(9-18-14)15(21)17-6-8-19-7-5-16-10-19/h1-5,7,9-10H,6,8H2,(H,17,21)(H,18,20)
InChIKeyLXAJTQYAZZFFIC-UHFFFAOYSA-N
XLogP1.15
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-imidazol-1-ylethyl)-1-oxo-2H-isoquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-imidazol-1-ylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474998
N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide
CID 61375960
N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-1H-indole-3-carboxamide;hydrochloride
CID 169442420
N-(2-imidazol-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 72933899
methyl 3-[(1-oxo-2H-isoquinoline-4-carbonyl)amino]propanoate
CID 71701636
3-fluoro-N-(2-imidazol-1-ylethyl)pyridine-4-carboxamide
CID 115645510
6-bromo-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 103889552
N-(3-imidazol-1-ylpropyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 135654270
6-fluoro-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 115497664
6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 86286424
3-[(2-chlorophenyl)methyl]-N-(3-imidazol-1-ylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121026993
2-[2-(2-imidazol-1-ylethylcarbamoyl)pyrrol-1-yl]acetic acid
CID 79324658

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-1-oxo-2H-isoquinoline-4-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-1-oxo-2H-isoquinoline-4-carboxamide (CID 110205681) is N-(2-imidazol-1-ylethyl)-1-oxo-2H-isoquinoline-4-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-1-oxo-2H-isoquinoline-4-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-1-oxo-2H-isoquinoline-4-carboxamide is O=C(NCCn1ccnc1)c1c[nH]c(=O)c2ccccc12.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-1-oxo-2H-isoquinoline-4-carboxamide?
The InChIKey is LXAJTQYAZZFFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c20-14-12-4-2-1-3-11(12)13(9-18-14)15(21)17-6-8-19-7-5-16-10-19/h1-5,7,9-10H,6,8H2,(H,17,21)(H,18,20).
What are the key properties of N-(2-imidazol-1-ylethyl)-1-oxo-2H-isoquinoline-4-carboxamide?
N-(2-imidazol-1-ylethyl)-1-oxo-2H-isoquinoline-4-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-1-oxo-2H-isoquinoline-4-carboxamide is sourced from PubChem (CID 110205681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).