N-(3-cyclohexyl-2,4-dioxoimidazolidin-1-yl)isoquinoline-1-carboxamide

C19H20N4O3 — CID 6492010

IUPACN-(3-cyclohexyl-2,4-dioxoimidazolidin-1-yl)isoquinoline-1-carboxamide
SMILESO=C(NN1CC(=O)N(C2CCCCC2)C1=O)c1nccc2ccccc12
InChIInChI=1S/C19H20N4O3/c24-16-12-22(19(26)23(16)14-7-2-1-3-8-14)21-18(25)17-15-9-5-4-6-13(15)10-11-20-17/h4-6,9-11,14H,1-3,7-8,12H2,(H,21,25)
InChIKeySPWZQYUMRIBSJI-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.48
Rot. Bonds3

About N-(3-cyclohexyl-2,4-dioxoimidazolidin-1-yl)isoquinoline-1-carboxamide

N-(3-cyclohexyl-2,4-dioxoimidazolidin-1-yl)isoquinoline-1-carboxamide (PubChem CID 6492010) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-(3-cyclohexyl-2,4-dioxoimidazolidin-1-yl)isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexyl-2,4-dioxoimidazolidin-1-yl)isoquinoline-1-carboxamide
PubChem CID6492010
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-(3-cyclohexyl-2,4-dioxoimidazolidin-1-yl)isoquinoline-1-carboxamide
SMILESO=C(NN1CC(=O)N(C2CCCCC2)C1=O)c1nccc2ccccc12
InChIInChI=1S/C19H20N4O3/c24-16-12-22(19(26)23(16)14-7-2-1-3-8-14)21-18(25)17-15-9-5-4-6-13(15)10-11-20-17/h4-6,9-11,14H,1-3,7-8,12H2,(H,21,25)
InChIKeySPWZQYUMRIBSJI-UHFFFAOYSA-N
XLogP2.48
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze N-(3-cyclohexyl-2,4-dioxoimidazolidin-1-yl)isoquinoline-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyl-2,4-dioxoimidazolidin-1-yl)isoquinoline-1-carboxamide?
The IUPAC name of N-(3-cyclohexyl-2,4-dioxoimidazolidin-1-yl)isoquinoline-1-carboxamide (CID 6492010) is N-(3-cyclohexyl-2,4-dioxoimidazolidin-1-yl)isoquinoline-1-carboxamide.
What is the SMILES notation for N-(3-cyclohexyl-2,4-dioxoimidazolidin-1-yl)isoquinoline-1-carboxamide?
The canonical SMILES for N-(3-cyclohexyl-2,4-dioxoimidazolidin-1-yl)isoquinoline-1-carboxamide is O=C(NN1CC(=O)N(C2CCCCC2)C1=O)c1nccc2ccccc12.
What is the InChIKey of N-(3-cyclohexyl-2,4-dioxoimidazolidin-1-yl)isoquinoline-1-carboxamide?
The InChIKey is SPWZQYUMRIBSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-16-12-22(19(26)23(16)14-7-2-1-3-8-14)21-18(25)17-15-9-5-4-6-13(15)10-11-20-17/h4-6,9-11,14H,1-3,7-8,12H2,(H,21,25).
What are the key properties of N-(3-cyclohexyl-2,4-dioxoimidazolidin-1-yl)isoquinoline-1-carboxamide?
N-(3-cyclohexyl-2,4-dioxoimidazolidin-1-yl)isoquinoline-1-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyl-2,4-dioxoimidazolidin-1-yl)isoquinoline-1-carboxamide is sourced from PubChem (CID 6492010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).