(2R)-2-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one

C22H19ClN2O — CID 1035984

IUPAC(2R)-2-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCc1cc(C)cc(N2C(=O)c3ccccc3N[C@H]2c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H19ClN2O/c1-14-11-15(2)13-18(12-14)25-21(16-7-9-17(23)10-8-16)24-20-6-4-3-5-19(20)22(25)26/h3-13,21,24H,1-2H3/t21-/m1/s1
InChIKeyLCVMYWVVPLOTCY-OAQYLSRUSA-N
MW362.86 g/mol
LogP5.73
Rot. Bonds2

About (2R)-2-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one

(2R)-2-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 1035984) has the molecular formula C22H19ClN2O and a molecular weight of 362.86 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID1035984
Molecular FormulaC22H19ClN2O
Molecular Weight362.86 g/mol
Exact Mass362.12
IUPAC Name(2R)-2-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCc1cc(C)cc(N2C(=O)c3ccccc3N[C@H]2c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H19ClN2O/c1-14-11-15(2)13-18(12-14)25-21(16-7-9-17(23)10-8-16)24-20-6-4-3-5-19(20)22(25)26/h3-13,21,24H,1-2H3/t21-/m1/s1
InChIKeyLCVMYWVVPLOTCY-OAQYLSRUSA-N
XLogP5.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.86
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-2-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one (CID 1035984) is (2R)-2-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one is Cc1cc(C)cc(N2C(=O)c3ccccc3N[C@H]2c2ccc(Cl)cc2)c1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is LCVMYWVVPLOTCY-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H19ClN2O/c1-14-11-15(2)13-18(12-14)25-21(16-7-9-17(23)10-8-16)24-20-6-4-3-5-19(20)22(25)26/h3-13,21,24H,1-2H3/t21-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one?
(2R)-2-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 362.86 g/mol, XLogP of 5.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 1035984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).