2-(3-ethoxy-4-hydroxyphenyl)-3-[1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one

C24H23N3O4 — CID 2900984

IUPAC2-(3-ethoxy-4-hydroxyphenyl)-3-[1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one
SMILESCCOc1cc(C2Nc3ccccc3C(=O)N2N=C(C)c2ccccc2O)ccc1O
InChIInChI=1S/C24H23N3O4/c1-3-31-22-14-16(12-13-21(22)29)23-25-19-10-6-4-9-18(19)24(30)27(23)26-15(2)17-8-5-7-11-20(17)28/h4-14,23,25,28-29H,3H2,1-2H3
InChIKeyDGRAHKHGLHXDKG-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.49
Rot. Bonds5

About 2-(3-ethoxy-4-hydroxyphenyl)-3-[1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one

2-(3-ethoxy-4-hydroxyphenyl)-3-[1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one (PubChem CID 2900984) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 2-(3-ethoxy-4-hydroxyphenyl)-3-[1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(3-ethoxy-4-hydroxyphenyl)-3-[1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one
PubChem CID2900984
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name2-(3-ethoxy-4-hydroxyphenyl)-3-[1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one
SMILESCCOc1cc(C2Nc3ccccc3C(=O)N2N=C(C)c2ccccc2O)ccc1O
InChIInChI=1S/C24H23N3O4/c1-3-31-22-14-16(12-13-21(22)29)23-25-19-10-6-4-9-18(19)24(30)27(23)26-15(2)17-8-5-7-11-20(17)28/h4-14,23,25,28-29H,3H2,1-2H3
InChIKeyDGRAHKHGLHXDKG-UHFFFAOYSA-N
XLogP4.49
TPSA94.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(3-ethoxy-4-hydroxyphenyl)-3-[1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one
CID 136882713
(2S)-2-(3-chlorophenyl)-3-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one
CID 136747752
(2S)-3-[(2S)-butan-2-yl]-2-(3-ethoxy-4-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008003
2-(3-ethoxy-4-hydroxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 658545
(2S)-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 1212587
(2R)-2-(4-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 743586
copper;2-phenyl-3-[(E)-1-pyridin-2-ylethylideneamino]-1,2-dihydroquinazolin-4-one;dichloride
CID 46861760
(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1131639
2-(4-fluorophenyl)-3-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-1,2-dihydroquinazolin-4-one
CID 155810584
2-(3,4-dihydroxyphenyl)-3-ethyl-1,2-dihydroquinazolin-4-one
CID 47030381
(2R)-3-[(2R)-butan-2-yl]-2-(4-ethoxy-3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008099
(2S)-3-(4-ethoxyphenyl)-2-(4-hydroxy-3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9011815

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-4-hydroxyphenyl)-3-[1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(3-ethoxy-4-hydroxyphenyl)-3-[1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one (CID 2900984) is 2-(3-ethoxy-4-hydroxyphenyl)-3-[1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(3-ethoxy-4-hydroxyphenyl)-3-[1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(3-ethoxy-4-hydroxyphenyl)-3-[1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one is CCOc1cc(C2Nc3ccccc3C(=O)N2N=C(C)c2ccccc2O)ccc1O.
What is the InChIKey of 2-(3-ethoxy-4-hydroxyphenyl)-3-[1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one?
The InChIKey is DGRAHKHGLHXDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-3-31-22-14-16(12-13-21(22)29)23-25-19-10-6-4-9-18(19)24(30)27(23)26-15(2)17-8-5-7-11-20(17)28/h4-14,23,25,28-29H,3H2,1-2H3.
What are the key properties of 2-(3-ethoxy-4-hydroxyphenyl)-3-[1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one?
2-(3-ethoxy-4-hydroxyphenyl)-3-[1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one has a molecular weight of 417.47 g/mol, XLogP of 4.49, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-4-hydroxyphenyl)-3-[1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 2900984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).