2-(4-chloro-2-methoxy-6-methylphenyl)-1H-quinolin-4-one

C17H14ClNO2 — CID 170366465

IUPAC2-(4-chloro-2-methoxy-6-methylphenyl)-1H-quinolin-4-one
SMILESCOc1cc(Cl)cc(C)c1-c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C17H14ClNO2/c1-10-7-11(18)8-16(21-2)17(10)14-9-15(20)12-5-3-4-6-13(12)19-14/h3-9H,1-2H3,(H,19,20)
InChIKeyMWANCEUIYFWMNE-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.17
Rot. Bonds2

About 2-(4-chloro-2-methoxy-6-methylphenyl)-1H-quinolin-4-one

2-(4-chloro-2-methoxy-6-methylphenyl)-1H-quinolin-4-one (PubChem CID 170366465) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxy-6-methylphenyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(4-chloro-2-methoxy-6-methylphenyl)-1H-quinolin-4-one
PubChem CID170366465
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name2-(4-chloro-2-methoxy-6-methylphenyl)-1H-quinolin-4-one
SMILESCOc1cc(Cl)cc(C)c1-c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C17H14ClNO2/c1-10-7-11(18)8-16(21-2)17(10)14-9-15(20)12-5-3-4-6-13(12)19-14/h3-9H,1-2H3,(H,19,20)
InChIKeyMWANCEUIYFWMNE-UHFFFAOYSA-N
XLogP4.17
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxy-6-methylphenyl)-1H-quinolin-4-one?
The IUPAC name of 2-(4-chloro-2-methoxy-6-methylphenyl)-1H-quinolin-4-one (CID 170366465) is 2-(4-chloro-2-methoxy-6-methylphenyl)-1H-quinolin-4-one.
What is the SMILES notation for 2-(4-chloro-2-methoxy-6-methylphenyl)-1H-quinolin-4-one?
The canonical SMILES for 2-(4-chloro-2-methoxy-6-methylphenyl)-1H-quinolin-4-one is COc1cc(Cl)cc(C)c1-c1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of 2-(4-chloro-2-methoxy-6-methylphenyl)-1H-quinolin-4-one?
The InChIKey is MWANCEUIYFWMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-10-7-11(18)8-16(21-2)17(10)14-9-15(20)12-5-3-4-6-13(12)19-14/h3-9H,1-2H3,(H,19,20).
What are the key properties of 2-(4-chloro-2-methoxy-6-methylphenyl)-1H-quinolin-4-one?
2-(4-chloro-2-methoxy-6-methylphenyl)-1H-quinolin-4-one has a molecular weight of 299.76 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxy-6-methylphenyl)-1H-quinolin-4-one is sourced from PubChem (CID 170366465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).