6-(4-chlorophenyl)-2-(2-methylphenyl)-3,1-benzoxazin-4-one

C21H14ClNO2 — CID 23630817

IUPAC6-(4-chlorophenyl)-2-(2-methylphenyl)-3,1-benzoxazin-4-one
SMILESCc1ccccc1-c1nc2ccc(-c3ccc(Cl)cc3)cc2c(=O)o1
InChIInChI=1S/C21H14ClNO2/c1-13-4-2-3-5-17(13)20-23-19-11-8-15(12-18(19)21(24)25-20)14-6-9-16(22)10-7-14/h2-12H,1H3
InChIKeyJCOVQWVKRYPNJQ-UHFFFAOYSA-N
MW347.80 g/mol
LogP5.48
Rot. Bonds2

About 6-(4-chlorophenyl)-2-(2-methylphenyl)-3,1-benzoxazin-4-one

6-(4-chlorophenyl)-2-(2-methylphenyl)-3,1-benzoxazin-4-one (PubChem CID 23630817) has the molecular formula C21H14ClNO2 and a molecular weight of 347.80 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-(2-methylphenyl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-(2-methylphenyl)-3,1-benzoxazin-4-one
PubChem CID23630817
Molecular FormulaC21H14ClNO2
Molecular Weight347.80 g/mol
Exact Mass347.07
IUPAC Name6-(4-chlorophenyl)-2-(2-methylphenyl)-3,1-benzoxazin-4-one
SMILESCc1ccccc1-c1nc2ccc(-c3ccc(Cl)cc3)cc2c(=O)o1
InChIInChI=1S/C21H14ClNO2/c1-13-4-2-3-5-17(13)20-23-19-11-8-15(12-18(19)21(24)25-20)14-6-9-16(22)10-7-14/h2-12H,1H3
InChIKeyJCOVQWVKRYPNJQ-UHFFFAOYSA-N
XLogP5.48
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.80
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenyl)-6-nitro-3,1-benzoxazin-4-one
CID 10016605
6-methoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one
CID 10400770
6-chloro-2-[4-(6-chloro-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one
CID 18432334
2-(4-chlorophenyl)-6-methoxy-3,1-benzoxazin-4-one
CID 71330911
7-methoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one
CID 10400771
6-chloro-2-(4-methoxyphenyl)-3,1-benzoxazin-4-one
CID 2191162
2-methyl-6-(2-methyl-4-oxo-3,1-benzoxazin-6-yl)-3,1-benzoxazin-4-one
CID 541118
2-(3,4-dichlorophenyl)-6-methyl-3,1-benzoxazin-4-one
CID 3587331
6-bromo-2-(2-fluorophenyl)-3,1-benzoxazin-4-one
CID 132786054
2-(2-methylphenyl)-1,3-benzoxazole-6-sulfonyl chloride
CID 82358041
6-chloro-2-(5-chloro-1H-indol-3-yl)-3,1-benzoxazin-4-one
CID 137253999
2-(2,4-dichlorophenyl)-6-iodo-3,1-benzoxazin-4-one
CID 2732636

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-(2-methylphenyl)-3,1-benzoxazin-4-one?
The IUPAC name of 6-(4-chlorophenyl)-2-(2-methylphenyl)-3,1-benzoxazin-4-one (CID 23630817) is 6-(4-chlorophenyl)-2-(2-methylphenyl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2-(2-methylphenyl)-3,1-benzoxazin-4-one?
The canonical SMILES for 6-(4-chlorophenyl)-2-(2-methylphenyl)-3,1-benzoxazin-4-one is Cc1ccccc1-c1nc2ccc(-c3ccc(Cl)cc3)cc2c(=O)o1.
What is the InChIKey of 6-(4-chlorophenyl)-2-(2-methylphenyl)-3,1-benzoxazin-4-one?
The InChIKey is JCOVQWVKRYPNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClNO2/c1-13-4-2-3-5-17(13)20-23-19-11-8-15(12-18(19)21(24)25-20)14-6-9-16(22)10-7-14/h2-12H,1H3.
What are the key properties of 6-(4-chlorophenyl)-2-(2-methylphenyl)-3,1-benzoxazin-4-one?
6-(4-chlorophenyl)-2-(2-methylphenyl)-3,1-benzoxazin-4-one has a molecular weight of 347.80 g/mol, XLogP of 5.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-(2-methylphenyl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 23630817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).