3-hydroxy-2-(2-hydroxy-3-methoxyphenyl)-1,2-dihydroquinazolin-4-one

C15H14N2O4 — CID 3245937

IUPAC3-hydroxy-2-(2-hydroxy-3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1cccc(C2Nc3ccccc3C(=O)N2O)c1O
InChIInChI=1S/C15H14N2O4/c1-21-12-8-4-6-10(13(12)18)14-16-11-7-3-2-5-9(11)15(19)17(14)20/h2-8,14,16,18,20H,1H3
InChIKeyALSPBPOXXIUURS-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.36
Rot. Bonds2

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

3-hydroxy-2-(2-hydroxy-3-methoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 3245937) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-hydroxy-2-(2-hydroxy-3-methoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-(2-hydroxy-3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID3245937
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name3-hydroxy-2-(2-hydroxy-3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1cccc(C2Nc3ccccc3C(=O)N2O)c1O
InChIInChI=1S/C15H14N2O4/c1-21-12-8-4-6-10(13(12)18)14-16-11-7-3-2-5-9(11)15(19)17(14)20/h2-8,14,16,18,20H,1H3
InChIKeyALSPBPOXXIUURS-UHFFFAOYSA-N
XLogP2.36
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009021
(2R)-2-(2-hydroxy-3-methoxyphenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 9007882
(2R)-2-(2,3-dihydroxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007460
2-(2-hydroxy-3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 17396250
2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one
CID 46613480
2-methoxy-6-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 1095521
(2R)-2-(3-ethoxy-2-hydroxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009018
(2R)-2-(3-ethoxy-2-hydroxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,2-dihydroquinazolin-4-one
CID 9007058
(2S)-3-hydroxy-2-phenyl-1,2-dihydroquinazolin-4-one
CID 692260
(2S)-2-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one
CID 842660
(2R)-2-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one
CID 842662
(2S)-2-(2,3-dimethoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009187

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(2-hydroxy-3-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-hydroxy-2-(2-hydroxy-3-methoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 3245937) is 3-hydroxy-2-(2-hydroxy-3-methoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-hydroxy-2-(2-hydroxy-3-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-hydroxy-2-(2-hydroxy-3-methoxyphenyl)-1,2-dihydroquinazolin-4-one is COc1cccc(C2Nc3ccccc3C(=O)N2O)c1O.
What is the InChIKey of 3-hydroxy-2-(2-hydroxy-3-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is ALSPBPOXXIUURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-21-12-8-4-6-10(13(12)18)14-16-11-7-3-2-5-9(11)15(19)17(14)20/h2-8,14,16,18,20H,1H3.
What are the key properties of 3-hydroxy-2-(2-hydroxy-3-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
3-hydroxy-2-(2-hydroxy-3-methoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 286.29 g/mol, XLogP of 2.36, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(2-hydroxy-3-methoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 3245937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).