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'}

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Related Compounds

{1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1H-pyrrol-2-yl}(phenyl)methanone
CID 16193606
N-[4-(4-phenylpiperazin-1-yl)butyl]isoquinoline-3-carboxamide
CID 57873522
N-[[4-(propylaminocarbamoyl)phenyl]methyl]isoquinoline-3-carboxamide
CID 162517616
N-(2-phenylethyl)isoquinoline-1-carboxamide
CID 5221438
[(3R,4R)-4-amino-1-(isoquinoline-3-carbonyl)-pyrrolidin-3-yl]-pyrrolidin-1-yl-methanone
CID 44443298
4-[[4-benzyl-2,5-dioxo-3-(pyridin-2-ylmethyl)imidazolidin-1-yl]methyl]-N-hydroxybenzamide
CID 164611457
N-{2-oxo-1-(4-oxo-3,4-dihydrophthalazin-1-yl)-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]ethyl}benzamide
CID 9637981
N-[(11R)-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]isoquinoline-3-carboxamide
CID 10812634
N-[6-(2-aminoanilino)-6-oxohexyl]isoquinoline-3-carboxamide
CID 45137894
N-[4-[1-(pyridine-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 57510098
N-[6-(pyridine-2-carbonylamino)hexyl]-1,3-dihydroisoindole-2-carboxamide
CID 57510297
N-(4-pyrrolidin-3-ylphenyl)isoquinoline-1-carboxamide
CID 58315704

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).