4-(4-chlorophenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one

C23H15ClN2O2 — CID 153244706

IUPAC4-(4-chlorophenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(-c3cnc4ccccc4c3)cc2N1c1ccc(Cl)cc1
InChIInChI=1S/C23H15ClN2O2/c24-18-6-8-19(9-7-18)26-21-12-15(5-10-22(21)28-14-23(26)27)17-11-16-3-1-2-4-20(16)25-13-17/h1-13H,14H2
InChIKeyWSDMSHUNEQIDPM-UHFFFAOYSA-N
MW386.84 g/mol
LogP5.61
Rot. Bonds2

About 4-(4-chlorophenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one

4-(4-chlorophenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one (PubChem CID 153244706) has the molecular formula C23H15ClN2O2 and a molecular weight of 386.84 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one
PubChem CID153244706
Molecular FormulaC23H15ClN2O2
Molecular Weight386.84 g/mol
Exact Mass386.08
IUPAC Name4-(4-chlorophenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(-c3cnc4ccccc4c3)cc2N1c1ccc(Cl)cc1
InChIInChI=1S/C23H15ClN2O2/c24-18-6-8-19(9-7-18)26-21-12-15(5-10-22(21)28-14-23(26)27)17-11-16-3-1-2-4-20(16)25-13-17/h1-13H,14H2
InChIKeyWSDMSHUNEQIDPM-UHFFFAOYSA-N
XLogP5.61
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.84
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one?
The IUPAC name of 4-(4-chlorophenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one (CID 153244706) is 4-(4-chlorophenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-(4-chlorophenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one?
The canonical SMILES for 4-(4-chlorophenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one is O=C1COc2ccc(-c3cnc4ccccc4c3)cc2N1c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one?
The InChIKey is WSDMSHUNEQIDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN2O2/c24-18-6-8-19(9-7-18)26-21-12-15(5-10-22(21)28-14-23(26)27)17-11-16-3-1-2-4-20(16)25-13-17/h1-13H,14H2.
What are the key properties of 4-(4-chlorophenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one?
4-(4-chlorophenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one has a molecular weight of 386.84 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one is sourced from PubChem (CID 153244706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).