3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide

C19H19N3O2 — CID 135636453

IUPAC3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)NCCc1ccccc1
InChIInChI=1S/C19H19N3O2/c23-18(20-13-12-14-6-2-1-3-7-14)11-10-17-21-16-9-5-4-8-15(16)19(24)22-17/h1-9H,10-13H2,(H,20,23)(H,21,22,24)
InChIKeyXASITBVDKADAOU-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.21
Rot. Bonds6

About 3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide

3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide (PubChem CID 135636453) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
PubChem CID135636453
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)NCCc1ccccc1
InChIInChI=1S/C19H19N3O2/c23-18(20-13-12-14-6-2-1-3-7-14)11-10-17-21-16-9-5-4-8-15(16)19(24)22-17/h1-9H,10-13H2,(H,20,23)(H,21,22,24)
InChIKeyXASITBVDKADAOU-UHFFFAOYSA-N
XLogP2.21
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-(1H-pyrazol-4-yl)propanamide
CID 137210262
N-[(3-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137292595
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831616
3-(4-oxo-3H-quinazolin-2-yl)-N-prop-2-ynylpropanamide
CID 135687166
N-[2-(dimethylsulfamoyl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135637114
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137303645
N-[2-(4-aminophenyl)ethyl]-3-[(4-oxo-3H-quinazolin-2-yl)methylsulfanyl]propanamide
CID 137119963
N,N-dimethyl-4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]benzamide
CID 137300676
N-(3-aminopropyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide;hydrochloride
CID 137098154
N-benzhydryl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135724863
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135794841
N-(4-anilinophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137258775

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide (CID 135636453) is 3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide is O=C(CCc1nc2ccccc2c(=O)[nH]1)NCCc1ccccc1.
What is the InChIKey of 3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide?
The InChIKey is XASITBVDKADAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-18(20-13-12-14-6-2-1-3-7-14)11-10-17-21-16-9-5-4-8-15(16)19(24)22-17/h1-9H,10-13H2,(H,20,23)(H,21,22,24).
What are the key properties of 3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide?
3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide has a molecular weight of 321.38 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 135636453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).