3-(4-oxoquinazolin-3-yl)-N-phenyl-N-prop-2-enylpropanamide

C20H19N3O2 — CID 52564428

IUPAC3-(4-oxoquinazolin-3-yl)-N-phenyl-N-prop-2-enylpropanamide
SMILESC=CCN(C(=O)CCn1cnc2ccccc2c1=O)c1ccccc1
InChIInChI=1S/C20H19N3O2/c1-2-13-23(16-8-4-3-5-9-16)19(24)12-14-22-15-21-18-11-7-6-10-17(18)20(22)25/h2-11,15H,1,12-14H2
InChIKeyBGMNUIMUGAEICU-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.01
Rot. Bonds6

About 3-(4-oxoquinazolin-3-yl)-N-phenyl-N-prop-2-enylpropanamide

3-(4-oxoquinazolin-3-yl)-N-phenyl-N-prop-2-enylpropanamide (PubChem CID 52564428) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-(4-oxoquinazolin-3-yl)-N-phenyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-(4-oxoquinazolin-3-yl)-N-phenyl-N-prop-2-enylpropanamide
PubChem CID52564428
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name3-(4-oxoquinazolin-3-yl)-N-phenyl-N-prop-2-enylpropanamide
SMILESC=CCN(C(=O)CCn1cnc2ccccc2c1=O)c1ccccc1
InChIInChI=1S/C20H19N3O2/c1-2-13-23(16-8-4-3-5-9-16)19(24)12-14-22-15-21-18-11-7-6-10-17(18)20(22)25/h2-11,15H,1,12-14H2
InChIKeyBGMNUIMUGAEICU-UHFFFAOYSA-N
XLogP3.01
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-(4-oxoquinazolin-3-yl)-N-phenylpropanamide
CID 25298269
2-[3-(4-oxoquinazolin-3-yl)propanoyl-propan-2-ylamino]acetic acid
CID 119198315
4-[methyl-[3-(4-oxoquinazolin-3-yl)propanoyl]amino]butanoic acid
CID 119137206
N-methyl-N-(2-methylpropyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 134058897
N-(1,3-benzothiazol-2-yl)-N-ethyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 16573180
N-[(4-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51272205
N-[(2-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51271973
N-(cyanomethyl)-N-cyclopropyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51097011
3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride
CID 119402237
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 86817821
3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
methyl 3-oxo-5-(4-oxoquinazolin-3-yl)pentanoate
CID 46949976

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-phenyl-N-prop-2-enylpropanamide?
The IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-phenyl-N-prop-2-enylpropanamide (CID 52564428) is 3-(4-oxoquinazolin-3-yl)-N-phenyl-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-(4-oxoquinazolin-3-yl)-N-phenyl-N-prop-2-enylpropanamide?
The canonical SMILES for 3-(4-oxoquinazolin-3-yl)-N-phenyl-N-prop-2-enylpropanamide is C=CCN(C(=O)CCn1cnc2ccccc2c1=O)c1ccccc1.
What is the InChIKey of 3-(4-oxoquinazolin-3-yl)-N-phenyl-N-prop-2-enylpropanamide?
The InChIKey is BGMNUIMUGAEICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-2-13-23(16-8-4-3-5-9-16)19(24)12-14-22-15-21-18-11-7-6-10-17(18)20(22)25/h2-11,15H,1,12-14H2.
What are the key properties of 3-(4-oxoquinazolin-3-yl)-N-phenyl-N-prop-2-enylpropanamide?
3-(4-oxoquinazolin-3-yl)-N-phenyl-N-prop-2-enylpropanamide has a molecular weight of 333.39 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxoquinazolin-3-yl)-N-phenyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 52564428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).