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

C25H34N4O4 — CID 3235637

IUPACN-cyclopentyl-5-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
SMILESO=C(CCCCn1c(=O)c2ccccc2n(CC(=O)NC2CCCC2)c1=O)NC1CCCC1
InChIInChI=1S/C25H34N4O4/c30-22(26-18-9-1-2-10-18)15-7-8-16-28-24(32)20-13-5-6-14-21(20)29(25(28)33)17-23(31)27-19-11-3-4-12-19/h5-6,13-14,18-19H,1-4,7-12,15-17H2,(H,26,30)(H,27,31)
InChIKeyIEDWFGBKEBKYMW-UHFFFAOYSA-N
MW454.57 g/mol
LogP2.45
Rot. Bonds9

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

N-cyclopentyl-5-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide (PubChem CID 3235637) has the molecular formula C25H34N4O4 and a molecular weight of 454.57 g/mol. Its IUPAC name is N-cyclopentyl-5-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide.

Molecular Properties

Compound NameN-cyclopentyl-5-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
PubChem CID3235637
Molecular FormulaC25H34N4O4
Molecular Weight454.57 g/mol
Exact Mass454.26
IUPAC NameN-cyclopentyl-5-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
SMILESO=C(CCCCn1c(=O)c2ccccc2n(CC(=O)NC2CCCC2)c1=O)NC1CCCC1
InChIInChI=1S/C25H34N4O4/c30-22(26-18-9-1-2-10-18)15-7-8-16-28-24(32)20-13-5-6-14-21(20)29(25(28)33)17-23(31)27-19-11-3-4-12-19/h5-6,13-14,18-19H,1-4,7-12,15-17H2,(H,26,30)(H,27,31)
InChIKeyIEDWFGBKEBKYMW-UHFFFAOYSA-N
XLogP2.45
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-4-(2,4-dioxo-1-phenacylquinazolin-3-yl)butanamide
CID 6619275
5-[1-[2-(butylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide
CID 50742859
5-[1-[2-(cyclohexylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(4-methylphenyl)pentanamide
CID 50762788
N-[(2-chlorophenyl)methyl]-5-[1-[2-(cyclohexylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 16801019
5-[1-[2-(4-acetylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide
CID 50763150
N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 22110617
5-[1-[2-(3-acetylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide
CID 50763024
5-[1-[(4-bromophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide
CID 50742795
N-cyclohexyl-5-[1-[2-(3-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 50762987
N-cyclopentyl-5-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 50763044
N-cyclopentyl-5-[2,4-dioxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]quinazolin-3-yl]pentanamide
CID 22429724
2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]-N-phenylacetamide
CID 22430011

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide?
The IUPAC name of N-cyclopentyl-5-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide (CID 3235637) is N-cyclopentyl-5-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide.
What is the SMILES notation for N-cyclopentyl-5-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide?
The canonical SMILES for N-cyclopentyl-5-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide is O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)NC2CCCC2)c1=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-5-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide?
The InChIKey is IEDWFGBKEBKYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O4/c30-22(26-18-9-1-2-10-18)15-7-8-16-28-24(32)20-13-5-6-14-21(20)29(25(28)33)17-23(31)27-19-11-3-4-12-19/h5-6,13-14,18-19H,1-4,7-12,15-17H2,(H,26,30)(H,27,31).
What are the key properties of N-cyclopentyl-5-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide?
N-cyclopentyl-5-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide has a molecular weight of 454.57 g/mol, XLogP of 2.45, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide is sourced from PubChem (CID 3235637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).