3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide

C19H19N3O4 — CID 78328408

IUPAC3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)CCN2C(=O)N=C3C=CC=CC3C2=O)cc1
InChIInChI=1S/C19H19N3O4/c1-26-14-8-6-13(7-9-14)12-20-17(23)10-11-22-18(24)15-4-2-3-5-16(15)21-19(22)25/h2-9,15H,10-12H2,1H3,(H,20,23)
InChIKeyPYDDCIQWCALJCU-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.85
Rot. Bonds6

About 3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide

3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 78328408) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID78328408
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)CCN2C(=O)N=C3C=CC=CC3C2=O)cc1
InChIInChI=1S/C19H19N3O4/c1-26-14-8-6-13(7-9-14)12-20-17(23)10-11-22-18(24)15-4-2-3-5-16(15)21-19(22)25/h2-9,15H,10-12H2,1H3,(H,20,23)
InChIKeyPYDDCIQWCALJCU-UHFFFAOYSA-N
XLogP1.85
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide with MolForge

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Related Compounds

methyl 3-[6-[(4-methoxyphenyl)methylamino]-6-oxohexyl]-2,4-dioxo-4aH-quinazoline-7-carboxylate
CID 78341846
6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-prop-2-enylhexanamide
CID 78326031
(3Z)-1-benzyl-3-[3-[(3-methoxyphenyl)methyl]-2-oxo-4aH-quinazolin-4-ylidene]urea
CID 178186526
(1Z)-1-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-4aH-quinazolin-4-ylidene]-3-phenylurea
CID 178186612
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-[(4-methoxyphenyl)methyl]-4-(8-oxo-6-sulfanylidene-8aH-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butanamide
CID 78375306
N-[(4-methoxyphenyl)methyl]-3-(4-methylpiperidin-1-yl)propanamide
CID 109014498
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 7772207
N-[(4-methoxyphenyl)methyl]-4-oxopentanamide
CID 60636923
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]butanamide
CID 75196755
3-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-4aH-quinazoline-2,4-dione
CID 78312698

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide (CID 78328408) is 3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)CCN2C(=O)N=C3C=CC=CC3C2=O)cc1.
What is the InChIKey of 3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is PYDDCIQWCALJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-26-14-8-6-13(7-9-14)12-20-17(23)10-11-22-18(24)15-4-2-3-5-16(15)21-19(22)25/h2-9,15H,10-12H2,1H3,(H,20,23).
What are the key properties of 3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide?
3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 353.38 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 78328408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).