7-chloro-8-methyl-3-phenyl-1H-quinolin-2-one

C16H12ClNO — CID 39346054

IUPAC7-chloro-8-methyl-3-phenyl-1H-quinolin-2-one
SMILESCc1c(Cl)ccc2cc(-c3ccccc3)c(=O)[nH]c12
InChIInChI=1S/C16H12ClNO/c1-10-14(17)8-7-12-9-13(16(19)18-15(10)12)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,19)
InChIKeyUQOYYWZXWYQMOR-UHFFFAOYSA-N
MW269.73 g/mol
LogP4.16
Rot. Bonds1

About 7-chloro-8-methyl-3-phenyl-1H-quinolin-2-one

7-chloro-8-methyl-3-phenyl-1H-quinolin-2-one (PubChem CID 39346054) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is 7-chloro-8-methyl-3-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-8-methyl-3-phenyl-1H-quinolin-2-one
PubChem CID39346054
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name7-chloro-8-methyl-3-phenyl-1H-quinolin-2-one
SMILESCc1c(Cl)ccc2cc(-c3ccccc3)c(=O)[nH]c12
InChIInChI=1S/C16H12ClNO/c1-10-14(17)8-7-12-9-13(16(19)18-15(10)12)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,19)
InChIKeyUQOYYWZXWYQMOR-UHFFFAOYSA-N
XLogP4.16
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-methyl-3-phenyl-1H-quinolin-2-one?
The IUPAC name of 7-chloro-8-methyl-3-phenyl-1H-quinolin-2-one (CID 39346054) is 7-chloro-8-methyl-3-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-8-methyl-3-phenyl-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-8-methyl-3-phenyl-1H-quinolin-2-one is Cc1c(Cl)ccc2cc(-c3ccccc3)c(=O)[nH]c12.
What is the InChIKey of 7-chloro-8-methyl-3-phenyl-1H-quinolin-2-one?
The InChIKey is UQOYYWZXWYQMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c1-10-14(17)8-7-12-9-13(16(19)18-15(10)12)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,19).
What are the key properties of 7-chloro-8-methyl-3-phenyl-1H-quinolin-2-one?
7-chloro-8-methyl-3-phenyl-1H-quinolin-2-one has a molecular weight of 269.73 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-methyl-3-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 39346054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).