3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)propanamide

C19H19N3O3 — CID 4068208

IUPAC3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)propanamide
SMILESO=C(CCn1c(=O)[nH]c2ccccc2c1=O)NCCc1ccccc1
InChIInChI=1S/C19H19N3O3/c23-17(20-12-10-14-6-2-1-3-7-14)11-13-22-18(24)15-8-4-5-9-16(15)21-19(22)25/h1-9H,10-13H2,(H,20,23)(H,21,25)
InChIKeyBOPVZMFLBMABPT-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.44
Rot. Bonds6

About 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)propanamide

3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)propanamide (PubChem CID 4068208) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)propanamide
PubChem CID4068208
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)propanamide
SMILESO=C(CCn1c(=O)[nH]c2ccccc2c1=O)NCCc1ccccc1
InChIInChI=1S/C19H19N3O3/c23-17(20-12-10-14-6-2-1-3-7-14)11-13-22-18(24)15-8-4-5-9-16(15)21-19(22)25/h1-9H,10-13H2,(H,20,23)(H,21,25)
InChIKeyBOPVZMFLBMABPT-UHFFFAOYSA-N
XLogP1.44
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]butanamide
CID 4103924
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 119103707
3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 51393472
5-(2,4-dioxo-1H-quinazolin-3-yl)-N-propylpentanamide
CID 119103654
N-[2-(3-fluorophenyl)ethyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 24550702
6-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)hexanamide
CID 15988281
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-methoxyphenyl)ethyl]butanamide
CID 39043523
N-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 3541728
N-[2-(cyclohexen-1-yl)ethyl]-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4114746
3-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2-phenylethyl)propanamide
CID 3496295
3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]propanamide
CID 46506321
N-(3,5-dichlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4904089

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)propanamide (CID 4068208) is 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)propanamide is O=C(CCn1c(=O)[nH]c2ccccc2c1=O)NCCc1ccccc1.
What is the InChIKey of 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)propanamide?
The InChIKey is BOPVZMFLBMABPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-17(20-12-10-14-6-2-1-3-7-14)11-13-22-18(24)15-8-4-5-9-16(15)21-19(22)25/h1-9H,10-13H2,(H,20,23)(H,21,25).
What are the key properties of 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)propanamide?
3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)propanamide has a molecular weight of 337.38 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 4068208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).