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

C24H23ClN2O — CID 2253283

IUPAC(2R)-3-(4-butylphenyl)-2-(2-chlorophenyl)-1,2-dihydroquinazolin-4-one
SMILESCCCCc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2Cl)cc1
InChIInChI=1S/C24H23ClN2O/c1-2-3-8-17-13-15-18(16-14-17)27-23(19-9-4-6-11-21(19)25)26-22-12-7-5-10-20(22)24(27)28/h4-7,9-16,23,26H,2-3,8H2,1H3/t23-/m1/s1
InChIKeyVTLHMPSLQAMIIQ-HSZRJFAPSA-N
MW390.91 g/mol
LogP6.45
Rot. Bonds5

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

(2R)-3-(4-butylphenyl)-2-(2-chlorophenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 2253283) has the molecular formula C24H23ClN2O and a molecular weight of 390.91 g/mol. Its IUPAC name is (2R)-3-(4-butylphenyl)-2-(2-chlorophenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-3-(4-butylphenyl)-2-(2-chlorophenyl)-1,2-dihydroquinazolin-4-one
PubChem CID2253283
Molecular FormulaC24H23ClN2O
Molecular Weight390.91 g/mol
Exact Mass390.15
IUPAC Name(2R)-3-(4-butylphenyl)-2-(2-chlorophenyl)-1,2-dihydroquinazolin-4-one
SMILESCCCCc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2Cl)cc1
InChIInChI=1S/C24H23ClN2O/c1-2-3-8-17-13-15-18(16-14-17)27-23(19-9-4-6-11-21(19)25)26-22-12-7-5-10-20(22)24(27)28/h4-7,9-16,23,26H,2-3,8H2,1H3/t23-/m1/s1
InChIKeyVTLHMPSLQAMIIQ-HSZRJFAPSA-N
XLogP6.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.91
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-butylphenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 176687363
3-(4-butylphenyl)-2-(3,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one
CID 176687506
3-(4-butylphenyl)-2-naphthalen-2-yl-1,2-dihydroquinazolin-4-one
CID 176687398
2-(4-chlorophenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one
CID 176687571
2-phenyl-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one
CID 176687508
N-[4-[(2S)-2-(2-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
CID 40900265
2-(3-bromo-2-methoxyphenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one
CID 176687519
(2R)-2-[4-[(4-bromophenyl)methoxy]phenyl]-3-(4-butylphenyl)-1,2-dihydroquinazolin-4-one
CID 124529838
2-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-dihydroquinazolin-4-one
CID 72793340
(2R)-3-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 7027439
2-[4-(dimethylamino)phenyl]-3-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one
CID 5084249
2-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 2901716

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-butylphenyl)-2-(2-chlorophenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-3-(4-butylphenyl)-2-(2-chlorophenyl)-1,2-dihydroquinazolin-4-one (CID 2253283) is (2R)-3-(4-butylphenyl)-2-(2-chlorophenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-3-(4-butylphenyl)-2-(2-chlorophenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-3-(4-butylphenyl)-2-(2-chlorophenyl)-1,2-dihydroquinazolin-4-one is CCCCc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2Cl)cc1.
What is the InChIKey of (2R)-3-(4-butylphenyl)-2-(2-chlorophenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is VTLHMPSLQAMIIQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H23ClN2O/c1-2-3-8-17-13-15-18(16-14-17)27-23(19-9-4-6-11-21(19)25)26-22-12-7-5-10-20(22)24(27)28/h4-7,9-16,23,26H,2-3,8H2,1H3/t23-/m1/s1.
What are the key properties of (2R)-3-(4-butylphenyl)-2-(2-chlorophenyl)-1,2-dihydroquinazolin-4-one?
(2R)-3-(4-butylphenyl)-2-(2-chlorophenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 390.91 g/mol, XLogP of 6.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-butylphenyl)-2-(2-chlorophenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 2253283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).