2-[(1S)-2-(2-hydroxy-3-methoxyphenyl)cyclopropyl]-3-phenylquinazolin-4-one

C24H20N2O3 — CID 58938522

IUPAC2-[(1S)-2-(2-hydroxy-3-methoxyphenyl)cyclopropyl]-3-phenylquinazolin-4-one
SMILESCOc1cccc(C2C[C@@H]2c2nc3ccccc3c(=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-GGYWPGCISA-N
MW384.44 g/mol
LogP4.37
Rot. Bonds4

About 2-[(1S)-2-(2-hydroxy-3-methoxyphenyl)cyclopropyl]-3-phenylquinazolin-4-one

2-[(1S)-2-(2-hydroxy-3-methoxyphenyl)cyclopropyl]-3-phenylquinazolin-4-one (PubChem CID 58938522) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-[(1S)-2-(2-hydroxy-3-methoxyphenyl)cyclopropyl]-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[(1S)-2-(2-hydroxy-3-methoxyphenyl)cyclopropyl]-3-phenylquinazolin-4-one
PubChem CID58938522
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name2-[(1S)-2-(2-hydroxy-3-methoxyphenyl)cyclopropyl]-3-phenylquinazolin-4-one
SMILESCOc1cccc(C2C[C@@H]2c2nc3ccccc3c(=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-GGYWPGCISA-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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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2-(2-hydroxy-3-methoxyphenyl)cyclopropyl]-3-phenylquinazolin-4-one?
The IUPAC name of 2-[(1S)-2-(2-hydroxy-3-methoxyphenyl)cyclopropyl]-3-phenylquinazolin-4-one (CID 58938522) is 2-[(1S)-2-(2-hydroxy-3-methoxyphenyl)cyclopropyl]-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[(1S)-2-(2-hydroxy-3-methoxyphenyl)cyclopropyl]-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[(1S)-2-(2-hydroxy-3-methoxyphenyl)cyclopropyl]-3-phenylquinazolin-4-one is COc1cccc(C2C[C@@H]2c2nc3ccccc3c(=O)n2-c2ccccc2)c1O.
What is the InChIKey of 2-[(1S)-2-(2-hydroxy-3-methoxyphenyl)cyclopropyl]-3-phenylquinazolin-4-one?
The InChIKey is AZUHPNVRJUYPLK-GGYWPGCISA-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-[(1S)-2-(2-hydroxy-3-methoxyphenyl)cyclopropyl]-3-phenylquinazolin-4-one?
2-[(1S)-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-[(1S)-2-(2-hydroxy-3-methoxyphenyl)cyclopropyl]-3-phenylquinazolin-4-one is sourced from PubChem (CID 58938522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).