3-(4-methoxyphenyl)-2-(2-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one

C24H22N2O3 — CID 4113412

IUPAC3-(4-methoxyphenyl)-2-(2-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESC=CCOc1ccccc1C1Nc2ccccc2C(=O)N1c1ccc(OC)cc1
InChIInChI=1S/C24H22N2O3/c1-3-16-29-22-11-7-5-9-20(22)23-25-21-10-6-4-8-19(21)24(27)26(23)17-12-14-18(28-2)15-13-17/h3-15,23,25H,1,16H2,2H3
InChIKeyDVVFINMEGXSAQU-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.03
Rot. Bonds6

About 3-(4-methoxyphenyl)-2-(2-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one

3-(4-methoxyphenyl)-2-(2-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 4113412) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-(2-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-(2-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID4113412
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name3-(4-methoxyphenyl)-2-(2-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESC=CCOc1ccccc1C1Nc2ccccc2C(=O)N1c1ccc(OC)cc1
InChIInChI=1S/C24H22N2O3/c1-3-16-29-22-11-7-5-9-20(22)23-25-21-10-6-4-8-19(21)24(27)26(23)17-12-14-18(28-2)15-13-17/h3-15,23,25H,1,16H2,2H3
InChIKeyDVVFINMEGXSAQU-UHFFFAOYSA-N
XLogP5.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 3846487
(2S)-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1009267
2-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 2901716
(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1131639
(2R)-2-(4-bromophenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1219427
(2S)-2-(1H-imidazol-2-yl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 95308221
(2S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9006434
(2S)-2-(furan-2-yl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9006450
2-[4-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 25347550
3-(4-bromophenyl)-2-[2-[(3-bromophenyl)methoxy]-5-methoxyphenyl]-1,2-dihydroquinazolin-4-one
CID 19576429
2-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 3117510
(2R)-3-(4-methoxyphenyl)-2-(1H-pyrazol-5-yl)-1,2-dihydroquinazolin-4-one
CID 95308249

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-(2-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-2-(2-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 4113412) is 3-(4-methoxyphenyl)-2-(2-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-(2-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-2-(2-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one is C=CCOc1ccccc1C1Nc2ccccc2C(=O)N1c1ccc(OC)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-(2-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is DVVFINMEGXSAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-3-16-29-22-11-7-5-9-20(22)23-25-21-10-6-4-8-19(21)24(27)26(23)17-12-14-18(28-2)15-13-17/h3-15,23,25H,1,16H2,2H3.
What are the key properties of 3-(4-methoxyphenyl)-2-(2-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one?
3-(4-methoxyphenyl)-2-(2-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 386.45 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-(2-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 4113412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).