(2R)-2-[3-[(3,4-dichlorophenyl)methoxy]phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one

C27H20Cl2N2O2 — CID 40977115

IUPAC(2R)-2-[3-[(3,4-dichlorophenyl)methoxy]phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)N1c1ccccc1
InChIInChI=1S/C27H20Cl2N2O2/c28-23-14-13-18(15-24(23)29)17-33-21-10-6-7-19(16-21)26-30-25-12-5-4-11-22(25)27(32)31(26)20-8-2-1-3-9-20/h1-16,26,30H,17H2/t26-/m1/s1
InChIKeyFJLLIOPPTFRUQG-AREMUKBSSA-N
MW475.38 g/mol
LogP7.34
Rot. Bonds5

About (2R)-2-[3-[(3,4-dichlorophenyl)methoxy]phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one

(2R)-2-[3-[(3,4-dichlorophenyl)methoxy]phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one (PubChem CID 40977115) has the molecular formula C27H20Cl2N2O2 and a molecular weight of 475.38 g/mol. Its IUPAC name is (2R)-2-[3-[(3,4-dichlorophenyl)methoxy]phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-2-[3-[(3,4-dichlorophenyl)methoxy]phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one
PubChem CID40977115
Molecular FormulaC27H20Cl2N2O2
Molecular Weight475.38 g/mol
Exact Mass474.09
IUPAC Name(2R)-2-[3-[(3,4-dichlorophenyl)methoxy]phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)N1c1ccccc1
InChIInChI=1S/C27H20Cl2N2O2/c28-23-14-13-18(15-24(23)29)17-33-21-10-6-7-19(16-21)26-30-25-12-5-4-11-22(25)27(32)31(26)20-8-2-1-3-9-20/h1-16,26,30H,17H2/t26-/m1/s1
InChIKeyFJLLIOPPTFRUQG-AREMUKBSSA-N
XLogP7.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.38
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-[(3,4-dichlorophenyl)methoxy]phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-2-[3-[(3,4-dichlorophenyl)methoxy]phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one (CID 40977115) is (2R)-2-[3-[(3,4-dichlorophenyl)methoxy]phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-2-[3-[(3,4-dichlorophenyl)methoxy]phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-2-[3-[(3,4-dichlorophenyl)methoxy]phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@@H](c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)N1c1ccccc1.
What is the InChIKey of (2R)-2-[3-[(3,4-dichlorophenyl)methoxy]phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one?
The InChIKey is FJLLIOPPTFRUQG-AREMUKBSSA-N. The full InChI is InChI=1S/C27H20Cl2N2O2/c28-23-14-13-18(15-24(23)29)17-33-21-10-6-7-19(16-21)26-30-25-12-5-4-11-22(25)27(32)31(26)20-8-2-1-3-9-20/h1-16,26,30H,17H2/t26-/m1/s1.
What are the key properties of (2R)-2-[3-[(3,4-dichlorophenyl)methoxy]phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one?
(2R)-2-[3-[(3,4-dichlorophenyl)methoxy]phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one has a molecular weight of 475.38 g/mol, XLogP of 7.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-[(3,4-dichlorophenyl)methoxy]phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 40977115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).