5-[1-[2-(cyclohexylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(4-methylphenyl)pentanamide

C28H34N4O4 — CID 50762788

IUPAC5-[1-[2-(cyclohexylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(4-methylphenyl)pentanamide
SMILESCc1ccc(NC(=O)CCCCn2c(=O)c3ccccc3n(CC(=O)NC3CCCCC3)c2=O)cc1
InChIInChI=1S/C28H34N4O4/c1-20-14-16-22(17-15-20)29-25(33)13-7-8-18-31-27(35)23-11-5-6-12-24(23)32(28(31)36)19-26(34)30-21-9-3-2-4-10-21/h5-6,11-12,14-17,21H,2-4,7-10,13,18-19H2,1H3,(H,29,33)(H,30,34)
InChIKeyYSUSFVRHAYMVAY-UHFFFAOYSA-N
MW490.60 g/mol
LogP3.73
Rot. Bonds9

About 5-[1-[2-(cyclohexylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(4-methylphenyl)pentanamide

5-[1-[2-(cyclohexylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(4-methylphenyl)pentanamide (PubChem CID 50762788) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is 5-[1-[2-(cyclohexylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(4-methylphenyl)pentanamide.

Molecular Properties

Compound Name5-[1-[2-(cyclohexylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(4-methylphenyl)pentanamide
PubChem CID50762788
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC Name5-[1-[2-(cyclohexylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(4-methylphenyl)pentanamide
SMILESCc1ccc(NC(=O)CCCCn2c(=O)c3ccccc3n(CC(=O)NC3CCCCC3)c2=O)cc1
InChIInChI=1S/C28H34N4O4/c1-20-14-16-22(17-15-20)29-25(33)13-7-8-18-31-27(35)23-11-5-6-12-24(23)32(28(31)36)19-26(34)30-21-9-3-2-4-10-21/h5-6,11-12,14-17,21H,2-4,7-10,13,18-19H2,1H3,(H,29,33)(H,30,34)
InChIKeyYSUSFVRHAYMVAY-UHFFFAOYSA-N
XLogP3.73
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[1-[2-(cyclohexylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(4-methylphenyl)pentanamide with MolForge

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Related Compounds

N-cyclopentyl-5-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 3235637
5-[1-[2-(4-acetylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide
CID 50763150
2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]-N-phenylacetamide
CID 22430011
N-cyclohexyl-5-[1-[2-(3-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 50762987
5-[1-[2-(3-acetylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide
CID 50763024
5-[1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-phenylpentanamide
CID 50762916
N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 22110617
5-[1-(2-anilino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]-N-phenylpentanamide
CID 50763061
N-cyclopentyl-5-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 50763044
5-[1-[2-(butylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide
CID 50742859
N-[(2-chlorophenyl)methyl]-5-[1-[2-(cyclohexylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 16801019
5-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(4-methylphenyl)pentanamide
CID 50762811

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(cyclohexylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(4-methylphenyl)pentanamide?
The IUPAC name of 5-[1-[2-(cyclohexylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(4-methylphenyl)pentanamide (CID 50762788) is 5-[1-[2-(cyclohexylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(4-methylphenyl)pentanamide.
What is the SMILES notation for 5-[1-[2-(cyclohexylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(4-methylphenyl)pentanamide?
The canonical SMILES for 5-[1-[2-(cyclohexylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(4-methylphenyl)pentanamide is Cc1ccc(NC(=O)CCCCn2c(=O)c3ccccc3n(CC(=O)NC3CCCCC3)c2=O)cc1.
What is the InChIKey of 5-[1-[2-(cyclohexylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(4-methylphenyl)pentanamide?
The InChIKey is YSUSFVRHAYMVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4/c1-20-14-16-22(17-15-20)29-25(33)13-7-8-18-31-27(35)23-11-5-6-12-24(23)32(28(31)36)19-26(34)30-21-9-3-2-4-10-21/h5-6,11-12,14-17,21H,2-4,7-10,13,18-19H2,1H3,(H,29,33)(H,30,34).
What are the key properties of 5-[1-[2-(cyclohexylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(4-methylphenyl)pentanamide?
5-[1-[2-(cyclohexylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(4-methylphenyl)pentanamide has a molecular weight of 490.60 g/mol, XLogP of 3.73, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(cyclohexylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(4-methylphenyl)pentanamide is sourced from PubChem (CID 50762788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).