2-[(2R)-2-(2-hydroxy-3-methoxyphenyl)cyclopropyl]-3-phenylquinazolin-4-one

C24H20N2O3 — CID 130318734

IUPAC2-[(2R)-2-(2-hydroxy-3-methoxyphenyl)cyclopropyl]-3-phenylquinazolin-4-one
SMILESCOc1cccc([C@@H]2CC2c2nc3ccccc3c(=O)n2-c2ccccc2)c1O
InChIInChI=1S/C24H20N2O3/c1-29-21-13-7-11-16(22(21)27)18-14-19(18)23-25-20-12-6-5-10-17(20)24(28)26(23)15-8-3-2-4-9-15/h2-13,18-19,27H,14H2,1H3/t18-,19?/m0/s1
InChIKeyAZUHPNVRJUYPLK-OYKVQYDMSA-N
MW384.44 g/mol
LogP4.37
Rot. Bonds4

About 2-[(2R)-2-(2-hydroxy-3-methoxyphenyl)cyclopropyl]-3-phenylquinazolin-4-one

2-[(2R)-2-(2-hydroxy-3-methoxyphenyl)cyclopropyl]-3-phenylquinazolin-4-one (PubChem CID 130318734) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-[(2R)-2-(2-hydroxy-3-methoxyphenyl)cyclopropyl]-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[(2R)-2-(2-hydroxy-3-methoxyphenyl)cyclopropyl]-3-phenylquinazolin-4-one
PubChem CID130318734
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name2-[(2R)-2-(2-hydroxy-3-methoxyphenyl)cyclopropyl]-3-phenylquinazolin-4-one
SMILESCOc1cccc([C@@H]2CC2c2nc3ccccc3c(=O)n2-c2ccccc2)c1O
InChIInChI=1S/C24H20N2O3/c1-29-21-13-7-11-16(22(21)27)18-14-19(18)23-25-20-12-6-5-10-17(20)24(28)26(23)15-8-3-2-4-9-15/h2-13,18-19,27H,14H2,1H3/t18-,19?/m0/s1
InChIKeyAZUHPNVRJUYPLK-OYKVQYDMSA-N
XLogP4.37
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1S)-2-(2-hydroxy-3-methoxyphenyl)cyclopropyl]-3-phenylquinazolin-4-one
CID 58938522
2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2862994
2-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-3-phenylquinazolin-4-one;hydrochloride
CID 175690191
3-(3,5-dimethylphenyl)-2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one
CID 136507453
3-(3-ethylphenyl)-2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one
CID 136648633
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 1414633
2-[(2Z)-2-[1-(2-methoxyphenyl)ethylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 6070250
2-ethoxy-3-phenylquinazolin-4-one
CID 71404213
2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-3-(3-methylphenyl)quinazolin-4-one
CID 20966987
2-amino-3-(4-methoxyphenyl)quinazolin-4-one
CID 71652488
4-hydroxy-3-[3-(2-hydroxy-3-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]chromen-2-one
CID 137242197
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1414350

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(2-hydroxy-3-methoxyphenyl)cyclopropyl]-3-phenylquinazolin-4-one?
The IUPAC name of 2-[(2R)-2-(2-hydroxy-3-methoxyphenyl)cyclopropyl]-3-phenylquinazolin-4-one (CID 130318734) is 2-[(2R)-2-(2-hydroxy-3-methoxyphenyl)cyclopropyl]-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[(2R)-2-(2-hydroxy-3-methoxyphenyl)cyclopropyl]-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[(2R)-2-(2-hydroxy-3-methoxyphenyl)cyclopropyl]-3-phenylquinazolin-4-one is COc1cccc([C@@H]2CC2c2nc3ccccc3c(=O)n2-c2ccccc2)c1O.
What is the InChIKey of 2-[(2R)-2-(2-hydroxy-3-methoxyphenyl)cyclopropyl]-3-phenylquinazolin-4-one?
The InChIKey is AZUHPNVRJUYPLK-OYKVQYDMSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-29-21-13-7-11-16(22(21)27)18-14-19(18)23-25-20-12-6-5-10-17(20)24(28)26(23)15-8-3-2-4-9-15/h2-13,18-19,27H,14H2,1H3/t18-,19?/m0/s1.
What are the key properties of 2-[(2R)-2-(2-hydroxy-3-methoxyphenyl)cyclopropyl]-3-phenylquinazolin-4-one?
2-[(2R)-2-(2-hydroxy-3-methoxyphenyl)cyclopropyl]-3-phenylquinazolin-4-one has a molecular weight of 384.44 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(2-hydroxy-3-methoxyphenyl)cyclopropyl]-3-phenylquinazolin-4-one is sourced from PubChem (CID 130318734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).