3-[3-(4-oxoquinazolin-3-yl)propanoylamino]-N-propylbenzamide

C21H22N4O3 — CID 55705897

IUPAC3-[3-(4-oxoquinazolin-3-yl)propanoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)CCn2cnc3ccccc3c2=O)c1
InChIInChI=1S/C21H22N4O3/c1-2-11-22-20(27)15-6-5-7-16(13-15)24-19(26)10-12-25-14-23-18-9-4-3-8-17(18)21(25)28/h3-9,13-14H,2,10-12H2,1H3,(H,22,27)(H,24,26)
InChIKeyNEZBAKCFORJEGV-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.57
Rot. Bonds7

About 3-[3-(4-oxoquinazolin-3-yl)propanoylamino]-N-propylbenzamide

3-[3-(4-oxoquinazolin-3-yl)propanoylamino]-N-propylbenzamide (PubChem CID 55705897) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-[3-(4-oxoquinazolin-3-yl)propanoylamino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[3-(4-oxoquinazolin-3-yl)propanoylamino]-N-propylbenzamide
PubChem CID55705897
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name3-[3-(4-oxoquinazolin-3-yl)propanoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)CCn2cnc3ccccc3c2=O)c1
InChIInChI=1S/C21H22N4O3/c1-2-11-22-20(27)15-6-5-7-16(13-15)24-19(26)10-12-25-14-23-18-9-4-3-8-17(18)21(25)28/h3-9,13-14H,2,10-12H2,1H3,(H,22,27)(H,24,26)
InChIKeyNEZBAKCFORJEGV-UHFFFAOYSA-N
XLogP2.57
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylsulfonylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 33158076
N,N-diethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 27892984
N-(4-bromo-3-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 2974265
N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4905328
3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 26835382
N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 51949326
N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 32606845
3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylbenzamide
CID 55705815
N-(3-chloro-4-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4903088
N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride
CID 119502460
N-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]butanamide
CID 9464349
N-(6-ethoxypyrimidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 71795774

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-oxoquinazolin-3-yl)propanoylamino]-N-propylbenzamide?
The IUPAC name of 3-[3-(4-oxoquinazolin-3-yl)propanoylamino]-N-propylbenzamide (CID 55705897) is 3-[3-(4-oxoquinazolin-3-yl)propanoylamino]-N-propylbenzamide.
What is the SMILES notation for 3-[3-(4-oxoquinazolin-3-yl)propanoylamino]-N-propylbenzamide?
The canonical SMILES for 3-[3-(4-oxoquinazolin-3-yl)propanoylamino]-N-propylbenzamide is CCCNC(=O)c1cccc(NC(=O)CCn2cnc3ccccc3c2=O)c1.
What is the InChIKey of 3-[3-(4-oxoquinazolin-3-yl)propanoylamino]-N-propylbenzamide?
The InChIKey is NEZBAKCFORJEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-2-11-22-20(27)15-6-5-7-16(13-15)24-19(26)10-12-25-14-23-18-9-4-3-8-17(18)21(25)28/h3-9,13-14H,2,10-12H2,1H3,(H,22,27)(H,24,26).
What are the key properties of 3-[3-(4-oxoquinazolin-3-yl)propanoylamino]-N-propylbenzamide?
3-[3-(4-oxoquinazolin-3-yl)propanoylamino]-N-propylbenzamide has a molecular weight of 378.43 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-oxoquinazolin-3-yl)propanoylamino]-N-propylbenzamide is sourced from PubChem (CID 55705897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).