5-[1-[(3-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide

C24H29N3O4 — CID 50762956

IUPAC5-[1-[(3-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide
SMILESCCCNC(=O)CCCCn1c(=O)c2ccccc2n(Cc2cccc(OC)c2)c1=O
InChIInChI=1S/C24H29N3O4/c1-3-14-25-22(28)13-6-7-15-26-23(29)20-11-4-5-12-21(20)27(24(26)30)17-18-9-8-10-19(16-18)31-2/h4-5,8-12,16H,3,6-7,13-15,17H2,1-2H3,(H,25,28)
InChIKeyHCWZADOPCSIJBJ-UHFFFAOYSA-N
MW423.51 g/mol
LogP2.92
Rot. Bonds10

About 5-[1-[(3-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide

5-[1-[(3-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide (PubChem CID 50762956) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 5-[1-[(3-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide.

Molecular Properties

Compound Name5-[1-[(3-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide
PubChem CID50762956
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name5-[1-[(3-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide
SMILESCCCNC(=O)CCCCn1c(=O)c2ccccc2n(Cc2cccc(OC)c2)c1=O
InChIInChI=1S/C24H29N3O4/c1-3-14-25-22(28)13-6-7-15-26-23(29)20-11-4-5-12-21(20)27(24(26)30)17-18-9-8-10-19(16-18)31-2/h4-5,8-12,16H,3,6-7,13-15,17H2,1-2H3,(H,25,28)
InChIKeyHCWZADOPCSIJBJ-UHFFFAOYSA-N
XLogP2.92
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-[1-[(3-nitrophenyl)methyl]-2,4-dioxoquinazolin-3-yl]butanamide
CID 46247613
5-[1-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide
CID 50762752
5-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide
CID 50763075
5-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-phenylpentanamide
CID 50762808
3-[(3-methoxyphenyl)methyl]-1-methylquinazoline-2,4-dione
CID 91254141
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 22429620
N-cyclopentyl-5-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 50763044
N-(1,3-benzodioxol-5-ylmethyl)-4-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butanamide
CID 15989362
N-[(3-methoxyphenyl)methyl]-4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)butanamide
CID 20892915
5-(2,4-dioxo-1H-quinazolin-3-yl)-N-propylpentanamide
CID 119103654
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 55945706
5-[1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(thiophen-2-ylmethyl)pentanamide
CID 50763304

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide?
The IUPAC name of 5-[1-[(3-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide (CID 50762956) is 5-[1-[(3-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide.
What is the SMILES notation for 5-[1-[(3-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide?
The canonical SMILES for 5-[1-[(3-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide is CCCNC(=O)CCCCn1c(=O)c2ccccc2n(Cc2cccc(OC)c2)c1=O.
What is the InChIKey of 5-[1-[(3-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide?
The InChIKey is HCWZADOPCSIJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-3-14-25-22(28)13-6-7-15-26-23(29)20-11-4-5-12-21(20)27(24(26)30)17-18-9-8-10-19(16-18)31-2/h4-5,8-12,16H,3,6-7,13-15,17H2,1-2H3,(H,25,28).
What are the key properties of 5-[1-[(3-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide?
5-[1-[(3-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide has a molecular weight of 423.51 g/mol, XLogP of 2.92, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide is sourced from PubChem (CID 50762956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).