(2R)-1-benzyl-2-(3,4-dichlorophenyl)-3-phenyl-2H-quinazolin-4-one

C27H20Cl2N2O — CID 126346502

IUPAC(2R)-1-benzyl-2-(3,4-dichlorophenyl)-3-phenyl-2H-quinazolin-4-one
SMILESO=C1c2ccccc2N(Cc2ccccc2)[C@@H](c2ccc(Cl)c(Cl)c2)N1c1ccccc1
InChIInChI=1S/C27H20Cl2N2O/c28-23-16-15-20(17-24(23)29)26-30(18-19-9-3-1-4-10-19)25-14-8-7-13-22(25)27(32)31(26)21-11-5-2-6-12-21/h1-17,26H,18H2/t26-/m1/s1
InChIKeyVWALRBIRALZRBO-AREMUKBSSA-N
MW459.38 g/mol
LogP7.36
Rot. Bonds4

About (2R)-1-benzyl-2-(3,4-dichlorophenyl)-3-phenyl-2H-quinazolin-4-one

(2R)-1-benzyl-2-(3,4-dichlorophenyl)-3-phenyl-2H-quinazolin-4-one (PubChem CID 126346502) has the molecular formula C27H20Cl2N2O and a molecular weight of 459.38 g/mol. Its IUPAC name is (2R)-1-benzyl-2-(3,4-dichlorophenyl)-3-phenyl-2H-quinazolin-4-one.

Molecular Properties

Compound Name(2R)-1-benzyl-2-(3,4-dichlorophenyl)-3-phenyl-2H-quinazolin-4-one
PubChem CID126346502
Molecular FormulaC27H20Cl2N2O
Molecular Weight459.38 g/mol
Exact Mass458.10
IUPAC Name(2R)-1-benzyl-2-(3,4-dichlorophenyl)-3-phenyl-2H-quinazolin-4-one
SMILESO=C1c2ccccc2N(Cc2ccccc2)[C@@H](c2ccc(Cl)c(Cl)c2)N1c1ccccc1
InChIInChI=1S/C27H20Cl2N2O/c28-23-16-15-20(17-24(23)29)26-30(18-19-9-3-1-4-10-19)25-14-8-7-13-22(25)27(32)31(26)21-11-5-2-6-12-21/h1-17,26H,18H2/t26-/m1/s1
InChIKeyVWALRBIRALZRBO-AREMUKBSSA-N
XLogP7.36
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.38
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-benzyl-3-(4-methylphenyl)-2-(4-propan-2-ylphenyl)-2H-quinazolin-4-one
CID 126185855
(2S)-1-benzyl-3-phenyl-2-[4-(thietan-3-yloxy)phenyl]-2H-quinazolin-4-one
CID 126345823
(2R)-1-benzyl-2-(3-methoxyphenyl)-3-(4-methylphenyl)-2H-quinazolin-4-one
CID 126183550
2-[(2R)-1-benzyl-4-oxo-3-phenyl-2H-quinazolin-2-yl]benzoic acid
CID 126348937
N-benzyl-2-[4-[(2R)-1-benzyl-4-oxo-3-phenyl-2H-quinazolin-2-yl]phenoxy]acetamide
CID 126358405
methyl 4-[(2R)-1-benzyl-3-(4-methylphenyl)-4-oxo-2H-quinazolin-2-yl]benzoate
CID 126174117
(2S)-1-benzyl-2-(3-methoxy-4-prop-2-enoxyphenyl)-3-(4-methylphenyl)-2H-quinazolin-4-one
CID 126182026
(2S)-1-benzyl-3-(4-methylphenyl)-2-[4-(2-methylpropoxy)phenyl]-2H-quinazolin-4-one
CID 126172204
[4-[(2R)-1-benzyl-3-(4-methylphenyl)-4-oxo-2H-quinazolin-2-yl]phenyl] benzoate
CID 126187977
(2S)-1-benzyl-3-(4-methylphenyl)-2-[4-(thietan-3-yloxy)phenyl]-2H-quinazolin-4-one
CID 126174635
(2R)-1-benzyl-2-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]-3-phenyl-2H-quinazolin-4-one
CID 126351888
methyl 2-[4-[(2S)-1-benzyl-3-(4-methylphenyl)-4-oxo-2H-quinazolin-2-yl]phenoxy]acetate
CID 126176054

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-2-(3,4-dichlorophenyl)-3-phenyl-2H-quinazolin-4-one?
The IUPAC name of (2R)-1-benzyl-2-(3,4-dichlorophenyl)-3-phenyl-2H-quinazolin-4-one (CID 126346502) is (2R)-1-benzyl-2-(3,4-dichlorophenyl)-3-phenyl-2H-quinazolin-4-one.
What is the SMILES notation for (2R)-1-benzyl-2-(3,4-dichlorophenyl)-3-phenyl-2H-quinazolin-4-one?
The canonical SMILES for (2R)-1-benzyl-2-(3,4-dichlorophenyl)-3-phenyl-2H-quinazolin-4-one is O=C1c2ccccc2N(Cc2ccccc2)[C@@H](c2ccc(Cl)c(Cl)c2)N1c1ccccc1.
What is the InChIKey of (2R)-1-benzyl-2-(3,4-dichlorophenyl)-3-phenyl-2H-quinazolin-4-one?
The InChIKey is VWALRBIRALZRBO-AREMUKBSSA-N. The full InChI is InChI=1S/C27H20Cl2N2O/c28-23-16-15-20(17-24(23)29)26-30(18-19-9-3-1-4-10-19)25-14-8-7-13-22(25)27(32)31(26)21-11-5-2-6-12-21/h1-17,26H,18H2/t26-/m1/s1.
What are the key properties of (2R)-1-benzyl-2-(3,4-dichlorophenyl)-3-phenyl-2H-quinazolin-4-one?
(2R)-1-benzyl-2-(3,4-dichlorophenyl)-3-phenyl-2H-quinazolin-4-one has a molecular weight of 459.38 g/mol, XLogP of 7.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-2-(3,4-dichlorophenyl)-3-phenyl-2H-quinazolin-4-one is sourced from PubChem (CID 126346502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).