4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methoxyphenyl)butanamide

C19H19N3O4 — CID 3235711

IUPAC4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methoxyphenyl)butanamide
SMILESCOc1cccc(NC(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)c1
InChIInChI=1S/C19H19N3O4/c1-26-14-7-4-6-13(12-14)20-17(23)10-5-11-22-18(24)15-8-2-3-9-16(15)21-19(22)25/h2-4,6-9,12H,5,10-11H2,1H3,(H,20,23)(H,21,25)
InChIKeyGTHMKPJXNPBUQD-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.12
Rot. Bonds6

About 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methoxyphenyl)butanamide

4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methoxyphenyl)butanamide (PubChem CID 3235711) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methoxyphenyl)butanamide.

Molecular Properties

Compound Name4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methoxyphenyl)butanamide
PubChem CID3235711
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methoxyphenyl)butanamide
SMILESCOc1cccc(NC(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)c1
InChIInChI=1S/C19H19N3O4/c1-26-14-7-4-6-13(12-14)20-17(23)10-5-11-22-18(24)15-8-2-3-9-16(15)21-19(22)25/h2-4,6-9,12H,5,10-11H2,1H3,(H,20,23)(H,21,25)
InChIKeyGTHMKPJXNPBUQD-UHFFFAOYSA-N
XLogP2.12
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methoxyphenyl)butanamide?
The IUPAC name of 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methoxyphenyl)butanamide (CID 3235711) is 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methoxyphenyl)butanamide.
What is the SMILES notation for 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methoxyphenyl)butanamide?
The canonical SMILES for 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methoxyphenyl)butanamide is COc1cccc(NC(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)c1.
What is the InChIKey of 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methoxyphenyl)butanamide?
The InChIKey is GTHMKPJXNPBUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-26-14-7-4-6-13(12-14)20-17(23)10-5-11-22-18(24)15-8-2-3-9-16(15)21-19(22)25/h2-4,6-9,12H,5,10-11H2,1H3,(H,20,23)(H,21,25).
What are the key properties of 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methoxyphenyl)butanamide?
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methoxyphenyl)butanamide has a molecular weight of 353.38 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methoxyphenyl)butanamide is sourced from PubChem (CID 3235711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).