5-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide

C25H29ClN4O4 — CID 50763075

IUPAC5-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide
SMILESCCCNC(=O)CCCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C25H29ClN4O4/c1-2-14-27-22(31)9-5-6-15-29-24(33)20-7-3-4-8-21(20)30(25(29)34)17-23(32)28-16-18-10-12-19(26)13-11-18/h3-4,7-8,10-13H,2,5-6,9,14-17H2,1H3,(H,27,31)(H,28,32)
InChIKeyMQQPRWRUXUZRNY-UHFFFAOYSA-N
MW484.98 g/mol
LogP2.83
Rot. Bonds11

About 5-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide

5-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide (PubChem CID 50763075) has the molecular formula C25H29ClN4O4 and a molecular weight of 484.98 g/mol. Its IUPAC name is 5-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide.

Molecular Properties

Compound Name5-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide
PubChem CID50763075
Molecular FormulaC25H29ClN4O4
Molecular Weight484.98 g/mol
Exact Mass484.19
IUPAC Name5-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide
SMILESCCCNC(=O)CCCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C25H29ClN4O4/c1-2-14-27-22(31)9-5-6-15-29-24(33)20-7-3-4-8-21(20)30(25(29)34)17-23(32)28-16-18-10-12-19(26)13-11-18/h3-4,7-8,10-13H,2,5-6,9,14-17H2,1H3,(H,27,31)(H,28,32)
InChIKeyMQQPRWRUXUZRNY-UHFFFAOYSA-N
XLogP2.83
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.98
LogP ≤ 52.83
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-[(4-chlorophenyl)methyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502441
5-[1-[2-(4-chloroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(3-methylbutyl)pentanamide
CID 50763028
5-[1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-phenylpentanamide
CID 50762916
5-[1-[2-(butylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide
CID 50742859
N-[(4-chlorophenyl)methyl]-4-(9-oxoacridin-10-yl)butanamide
CID 15994556
4-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide
CID 3243629
5-[1-[(3-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide
CID 50762956
4-[1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide
CID 22429951
5-[2,4-dioxo-1-[2-oxo-2-(3-phenylpropylamino)ethyl]quinazolin-3-yl]-N-propan-2-ylpentanamide
CID 27371259
2-[3-[2-(4-chlorophenyl)ethyl]-2,4-dioxoquinazolin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 22423536
5-[1-[2-(4-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(2-methylpropyl)pentanamide
CID 50763120
2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-phenylpropyl)acetamide
CID 51046638

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide?
The IUPAC name of 5-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide (CID 50763075) is 5-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide.
What is the SMILES notation for 5-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide?
The canonical SMILES for 5-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide is CCCNC(=O)CCCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccc(Cl)cc2)c1=O.
What is the InChIKey of 5-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide?
The InChIKey is MQQPRWRUXUZRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O4/c1-2-14-27-22(31)9-5-6-15-29-24(33)20-7-3-4-8-21(20)30(25(29)34)17-23(32)28-16-18-10-12-19(26)13-11-18/h3-4,7-8,10-13H,2,5-6,9,14-17H2,1H3,(H,27,31)(H,28,32).
What are the key properties of 5-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide?
5-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide has a molecular weight of 484.98 g/mol, XLogP of 2.83, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide is sourced from PubChem (CID 50763075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).