6-chloro-3,8-dimethyl-2-phenyl-1H-quinolin-4-one

C17H14ClNO — CID 104845926

IUPAC6-chloro-3,8-dimethyl-2-phenyl-1H-quinolin-4-one
SMILESCc1c(-c2ccccc2)[nH]c2c(C)cc(Cl)cc2c1=O
InChIInChI=1S/C17H14ClNO/c1-10-8-13(18)9-14-15(10)19-16(11(2)17(14)20)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,19,20)
InChIKeyGHTAZYCISURLTD-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.47
Rot. Bonds1

About 6-chloro-3,8-dimethyl-2-phenyl-1H-quinolin-4-one

6-chloro-3,8-dimethyl-2-phenyl-1H-quinolin-4-one (PubChem CID 104845926) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is 6-chloro-3,8-dimethyl-2-phenyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-chloro-3,8-dimethyl-2-phenyl-1H-quinolin-4-one
PubChem CID104845926
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC Name6-chloro-3,8-dimethyl-2-phenyl-1H-quinolin-4-one
SMILESCc1c(-c2ccccc2)[nH]c2c(C)cc(Cl)cc2c1=O
InChIInChI=1S/C17H14ClNO/c1-10-8-13(18)9-14-15(10)19-16(11(2)17(14)20)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,19,20)
InChIKeyGHTAZYCISURLTD-UHFFFAOYSA-N
XLogP4.47
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3,8-dimethyl-2-phenyl-1H-quinolin-4-one?
The IUPAC name of 6-chloro-3,8-dimethyl-2-phenyl-1H-quinolin-4-one (CID 104845926) is 6-chloro-3,8-dimethyl-2-phenyl-1H-quinolin-4-one.
What is the SMILES notation for 6-chloro-3,8-dimethyl-2-phenyl-1H-quinolin-4-one?
The canonical SMILES for 6-chloro-3,8-dimethyl-2-phenyl-1H-quinolin-4-one is Cc1c(-c2ccccc2)[nH]c2c(C)cc(Cl)cc2c1=O.
What is the InChIKey of 6-chloro-3,8-dimethyl-2-phenyl-1H-quinolin-4-one?
The InChIKey is GHTAZYCISURLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO/c1-10-8-13(18)9-14-15(10)19-16(11(2)17(14)20)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,19,20).
What are the key properties of 6-chloro-3,8-dimethyl-2-phenyl-1H-quinolin-4-one?
6-chloro-3,8-dimethyl-2-phenyl-1H-quinolin-4-one has a molecular weight of 283.76 g/mol, XLogP of 4.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3,8-dimethyl-2-phenyl-1H-quinolin-4-one is sourced from PubChem (CID 104845926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).