4-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]butanamide

C27H32N4O5 — CID 3238930

IUPAC4-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]butanamide
SMILESCOc1ccccc1CNC(=O)CCCn1c(=O)c2ccccc2n(CC(=O)NC2CCCC2)c1=O
InChIInChI=1S/C27H32N4O5/c1-36-23-14-7-2-9-19(23)17-28-24(32)15-8-16-30-26(34)21-12-5-6-13-22(21)31(27(30)35)18-25(33)29-20-10-3-4-11-20/h2,5-7,9,12-14,20H,3-4,8,10-11,15-18H2,1H3,(H,28,32)(H,29,33)
InChIKeyMHJXFZWLIVIJPL-UHFFFAOYSA-N
MW492.58 g/mol
LogP2.33
Rot. Bonds10

About 4-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]butanamide

4-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]butanamide (PubChem CID 3238930) has the molecular formula C27H32N4O5 and a molecular weight of 492.58 g/mol. Its IUPAC name is 4-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]butanamide
PubChem CID3238930
Molecular FormulaC27H32N4O5
Molecular Weight492.58 g/mol
Exact Mass492.24
IUPAC Name4-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]butanamide
SMILESCOc1ccccc1CNC(=O)CCCn1c(=O)c2ccccc2n(CC(=O)NC2CCCC2)c1=O
InChIInChI=1S/C27H32N4O5/c1-36-23-14-7-2-9-19(23)17-28-24(32)15-8-16-30-26(34)21-12-5-6-13-22(21)31(27(30)35)18-25(33)29-20-10-3-4-11-20/h2,5-7,9,12-14,20H,3-4,8,10-11,15-18H2,1H3,(H,28,32)(H,29,33)
InChIKeyMHJXFZWLIVIJPL-UHFFFAOYSA-N
XLogP2.33
TPSA111.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]butanamide with MolForge

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Related Compounds

N-[(2-chlorophenyl)methyl]-5-[1-[2-(cyclohexylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 16801019
N-cyclopentyl-5-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 3235637
methyl 2-[[2-[3-[4-[(2-methoxyphenyl)methylamino]-4-oxobutyl]-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate
CID 15989158
4-[1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylbutanamide
CID 155322951
N-cyclopentyl-5-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 50763044
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-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 22110617
N-cyclohexyl-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 45030701
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

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]butanamide?
The IUPAC name of 4-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]butanamide (CID 3238930) is 4-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]butanamide.
What is the SMILES notation for 4-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]butanamide?
The canonical SMILES for 4-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]butanamide is COc1ccccc1CNC(=O)CCCn1c(=O)c2ccccc2n(CC(=O)NC2CCCC2)c1=O.
What is the InChIKey of 4-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]butanamide?
The InChIKey is MHJXFZWLIVIJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O5/c1-36-23-14-7-2-9-19(23)17-28-24(32)15-8-16-30-26(34)21-12-5-6-13-22(21)31(27(30)35)18-25(33)29-20-10-3-4-11-20/h2,5-7,9,12-14,20H,3-4,8,10-11,15-18H2,1H3,(H,28,32)(H,29,33).
What are the key properties of 4-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]butanamide?
4-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]butanamide has a molecular weight of 492.58 g/mol, XLogP of 2.33, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]butanamide is sourced from PubChem (CID 3238930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).