4-[1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylbutanamide

C27H36N4O4 — CID 3237811

IUPAC4-[1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylbutanamide
SMILESO=C(Cn1c(=O)n(CCCC(=O)NC2CCCC2)c(=O)c2ccccc21)NCCC1=CCCCC1
InChIInChI=1S/C27H36N4O4/c32-24(29-21-11-4-5-12-21)15-8-18-30-26(34)22-13-6-7-14-23(22)31(27(30)35)19-25(33)28-17-16-20-9-2-1-3-10-20/h6-7,9,13-14,21H,1-5,8,10-12,15-19H2,(H,28,33)(H,29,32)
InChIKeyJDHQHKVSTRIFSR-UHFFFAOYSA-N
MW480.61 g/mol
LogP3.01
Rot. Bonds10

About 4-[1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylbutanamide

4-[1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylbutanamide (PubChem CID 3237811) has the molecular formula C27H36N4O4 and a molecular weight of 480.61 g/mol. Its IUPAC name is 4-[1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylbutanamide.

Molecular Properties

Compound Name4-[1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylbutanamide
PubChem CID3237811
Molecular FormulaC27H36N4O4
Molecular Weight480.61 g/mol
Exact Mass480.27
IUPAC Name4-[1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylbutanamide
SMILESO=C(Cn1c(=O)n(CCCC(=O)NC2CCCC2)c(=O)c2ccccc21)NCCC1=CCCCC1
InChIInChI=1S/C27H36N4O4/c32-24(29-21-11-4-5-12-21)15-8-18-30-26(34)22-13-6-7-14-23(22)31(27(30)35)19-25(33)28-17-16-20-9-2-1-3-10-20/h6-7,9,13-14,21H,1-5,8,10-12,15-19H2,(H,28,33)(H,29,32)
InChIKeyJDHQHKVSTRIFSR-UHFFFAOYSA-N
XLogP3.01
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylbutanamide 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

Ketanserin
CID 3822
3-(2-chloroethyl)(1H,3H)quinazoline-2,4-dione
CID 78766
3-Propyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 4344644
2-(4-(dimethylamino)phenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 3157451
Glycosmicine
CID 11788
2,3-Dihydro-2-(4-methylphenyl)-4(1H)-quinazolinone
CID 2818760
2,3-Dihydro-2-methyl-4(1H)-quinazolinone
CID 14807234
3-(2-Phenylethyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one
CID 696887
5-Fluoro-1-[4-(4-phenyl-3,6-dihydropyridin-1(2H)-YL)butyl]quinazoline-2,4(1H,3H)-dione
CID 448890
3-[2-(piperidin-1-yl)ethyl]-2-sulfanylquinazolin-4(3H)-one
CID 935390
3-ethylquinazoline-2,4(1H,3H)-dione
CID 747439
3-Phenylquinazoline-2,4-dione
CID 242637

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylbutanamide?
The IUPAC name of 4-[1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylbutanamide (CID 3237811) is 4-[1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylbutanamide.
What is the SMILES notation for 4-[1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylbutanamide?
The canonical SMILES for 4-[1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylbutanamide is O=C(Cn1c(=O)n(CCCC(=O)NC2CCCC2)c(=O)c2ccccc21)NCCC1=CCCCC1.
What is the InChIKey of 4-[1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylbutanamide?
The InChIKey is JDHQHKVSTRIFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O4/c32-24(29-21-11-4-5-12-21)15-8-18-30-26(34)22-13-6-7-14-23(22)31(27(30)35)19-25(33)28-17-16-20-9-2-1-3-10-20/h6-7,9,13-14,21H,1-5,8,10-12,15-19H2,(H,28,33)(H,29,32).
What are the key properties of 4-[1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylbutanamide?
4-[1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylbutanamide has a molecular weight of 480.61 g/mol, XLogP of 3.01, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylbutanamide is sourced from PubChem (CID 3237811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).