6-chloro-2-(3-methoxyphenyl)-1H-quinolin-4-one

C16H12ClNO2 — CID 11778710

IUPAC6-chloro-2-(3-methoxyphenyl)-1H-quinolin-4-one
SMILESCOc1cccc(-c2cc(=O)c3cc(Cl)ccc3[nH]2)c1
InChIInChI=1S/C16H12ClNO2/c1-20-12-4-2-3-10(7-12)15-9-16(19)13-8-11(17)5-6-14(13)18-15/h2-9H,1H3,(H,18,19)
InChIKeyLYOBYFQGKNDWMN-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.86
Rot. Bonds2

About 6-chloro-2-(3-methoxyphenyl)-1H-quinolin-4-one

6-chloro-2-(3-methoxyphenyl)-1H-quinolin-4-one (PubChem CID 11778710) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is 6-chloro-2-(3-methoxyphenyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-chloro-2-(3-methoxyphenyl)-1H-quinolin-4-one
PubChem CID11778710
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name6-chloro-2-(3-methoxyphenyl)-1H-quinolin-4-one
SMILESCOc1cccc(-c2cc(=O)c3cc(Cl)ccc3[nH]2)c1
InChIInChI=1S/C16H12ClNO2/c1-20-12-4-2-3-10(7-12)15-9-16(19)13-8-11(17)5-6-14(13)18-15/h2-9H,1H3,(H,18,19)
InChIKeyLYOBYFQGKNDWMN-UHFFFAOYSA-N
XLogP3.86
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-methoxyphenyl)-1H-quinolin-4-one?
The IUPAC name of 6-chloro-2-(3-methoxyphenyl)-1H-quinolin-4-one (CID 11778710) is 6-chloro-2-(3-methoxyphenyl)-1H-quinolin-4-one.
What is the SMILES notation for 6-chloro-2-(3-methoxyphenyl)-1H-quinolin-4-one?
The canonical SMILES for 6-chloro-2-(3-methoxyphenyl)-1H-quinolin-4-one is COc1cccc(-c2cc(=O)c3cc(Cl)ccc3[nH]2)c1.
What is the InChIKey of 6-chloro-2-(3-methoxyphenyl)-1H-quinolin-4-one?
The InChIKey is LYOBYFQGKNDWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c1-20-12-4-2-3-10(7-12)15-9-16(19)13-8-11(17)5-6-14(13)18-15/h2-9H,1H3,(H,18,19).
What are the key properties of 6-chloro-2-(3-methoxyphenyl)-1H-quinolin-4-one?
6-chloro-2-(3-methoxyphenyl)-1H-quinolin-4-one has a molecular weight of 285.73 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-methoxyphenyl)-1H-quinolin-4-one is sourced from PubChem (CID 11778710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).