2-(3-chlorophenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one

C22H19ClN2O — CID 54779414

IUPAC2-(3-chlorophenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2cccc(Cl)c2)N1CCc1ccccc1
InChIInChI=1S/C22H19ClN2O/c23-18-10-6-9-17(15-18)21-24-20-12-5-4-11-19(20)22(26)25(21)14-13-16-7-2-1-3-8-16/h1-12,15,21,24H,13-14H2
InChIKeyXKYJNVWSKQGMKX-UHFFFAOYSA-N
MW362.86 g/mol
LogP5.15
Rot. Bonds4

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

2-(3-chlorophenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one (PubChem CID 54779414) has the molecular formula C22H19ClN2O and a molecular weight of 362.86 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
PubChem CID54779414
Molecular FormulaC22H19ClN2O
Molecular Weight362.86 g/mol
Exact Mass362.12
IUPAC Name2-(3-chlorophenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2cccc(Cl)c2)N1CCc1ccccc1
InChIInChI=1S/C22H19ClN2O/c23-18-10-6-9-17(15-18)21-24-20-12-5-4-11-19(20)22(26)25(21)14-13-16-7-2-1-3-8-16/h1-12,15,21,24H,13-14H2
InChIKeyXKYJNVWSKQGMKX-UHFFFAOYSA-N
XLogP5.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.86
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(3-chlorophenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one (CID 54779414) is 2-(3-chlorophenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2cccc(Cl)c2)N1CCc1ccccc1.
What is the InChIKey of 2-(3-chlorophenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is XKYJNVWSKQGMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O/c23-18-10-6-9-17(15-18)21-24-20-12-5-4-11-19(20)22(26)25(21)14-13-16-7-2-1-3-8-16/h1-12,15,21,24H,13-14H2.
What are the key properties of 2-(3-chlorophenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one?
2-(3-chlorophenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 362.86 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54779414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).