N-cyclopentyl-4-(2,4-dioxo-1-phenacylquinazolin-3-yl)butanamide

C25H27N3O4 — CID 6619275

IUPACN-cyclopentyl-4-(2,4-dioxo-1-phenacylquinazolin-3-yl)butanamide
SMILESO=C(CCCn1c(=O)c2ccccc2n(CC(=O)c2ccccc2)c1=O)NC1CCCC1
InChIInChI=1S/C25H27N3O4/c29-22(18-9-2-1-3-10-18)17-28-21-14-7-6-13-20(21)24(31)27(25(28)32)16-8-15-23(30)26-19-11-4-5-12-19/h1-3,6-7,9-10,13-14,19H,4-5,8,11-12,15-17H2,(H,26,30)
InChIKeyRMRQBVONPVUBCF-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.89
Rot. Bonds8

About N-cyclopentyl-4-(2,4-dioxo-1-phenacylquinazolin-3-yl)butanamide

N-cyclopentyl-4-(2,4-dioxo-1-phenacylquinazolin-3-yl)butanamide (PubChem CID 6619275) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-cyclopentyl-4-(2,4-dioxo-1-phenacylquinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(2,4-dioxo-1-phenacylquinazolin-3-yl)butanamide
PubChem CID6619275
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN-cyclopentyl-4-(2,4-dioxo-1-phenacylquinazolin-3-yl)butanamide
SMILESO=C(CCCn1c(=O)c2ccccc2n(CC(=O)c2ccccc2)c1=O)NC1CCCC1
InChIInChI=1S/C25H27N3O4/c29-22(18-9-2-1-3-10-18)17-28-21-14-7-6-13-20(21)24(31)27(25(28)32)16-8-15-23(30)26-19-11-4-5-12-19/h1-3,6-7,9-10,13-14,19H,4-5,8,11-12,15-17H2,(H,26,30)
InChIKeyRMRQBVONPVUBCF-UHFFFAOYSA-N
XLogP2.89
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(3-acetylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide
CID 50763024
5-[1-[2-(butylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide
CID 50742859
5-[1-[2-(4-acetylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide
CID 50763150
5-[1-[(4-bromophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide
CID 50742795
5-[1-[2-(cyclohexylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(4-methylphenyl)pentanamide
CID 50762788
4-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]butanamide
CID 3238930
4-[1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylbutanamide
CID 155322951
2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]-N-phenylacetamide
CID 22430011
N-[(2-chlorophenyl)methyl]-5-[1-[2-(cyclohexylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 16801019
N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 22110617
N-cyclohexyl-5-[1-[2-(3-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 50762987

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(2,4-dioxo-1-phenacylquinazolin-3-yl)butanamide?
The IUPAC name of N-cyclopentyl-4-(2,4-dioxo-1-phenacylquinazolin-3-yl)butanamide (CID 6619275) is N-cyclopentyl-4-(2,4-dioxo-1-phenacylquinazolin-3-yl)butanamide.
What is the SMILES notation for N-cyclopentyl-4-(2,4-dioxo-1-phenacylquinazolin-3-yl)butanamide?
The canonical SMILES for N-cyclopentyl-4-(2,4-dioxo-1-phenacylquinazolin-3-yl)butanamide is O=C(CCCn1c(=O)c2ccccc2n(CC(=O)c2ccccc2)c1=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-4-(2,4-dioxo-1-phenacylquinazolin-3-yl)butanamide?
The InChIKey is RMRQBVONPVUBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c29-22(18-9-2-1-3-10-18)17-28-21-14-7-6-13-20(21)24(31)27(25(28)32)16-8-15-23(30)26-19-11-4-5-12-19/h1-3,6-7,9-10,13-14,19H,4-5,8,11-12,15-17H2,(H,26,30).
What are the key properties of N-cyclopentyl-4-(2,4-dioxo-1-phenacylquinazolin-3-yl)butanamide?
N-cyclopentyl-4-(2,4-dioxo-1-phenacylquinazolin-3-yl)butanamide has a molecular weight of 433.51 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(2,4-dioxo-1-phenacylquinazolin-3-yl)butanamide is sourced from PubChem (CID 6619275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).