2-chloro-6-(3-methoxyphenyl)-6-methyl-7,8-dihydroquinolin-5-one

C17H16ClNO2 — CID 118143785

IUPAC2-chloro-6-(3-methoxyphenyl)-6-methyl-7,8-dihydroquinolin-5-one
SMILESCOc1cccc(C2(C)CCc3nc(Cl)ccc3C2=O)c1
InChIInChI=1S/C17H16ClNO2/c1-17(11-4-3-5-12(10-11)21-2)9-8-14-13(16(17)20)6-7-15(18)19-14/h3-7,10H,8-9H2,1-2H3
InChIKeyFCXHUNWKBKEWGY-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.83
Rot. Bonds2

About 2-chloro-6-(3-methoxyphenyl)-6-methyl-7,8-dihydroquinolin-5-one

2-chloro-6-(3-methoxyphenyl)-6-methyl-7,8-dihydroquinolin-5-one (PubChem CID 118143785) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 2-chloro-6-(3-methoxyphenyl)-6-methyl-7,8-dihydroquinolin-5-one.

Molecular Properties

Compound Name2-chloro-6-(3-methoxyphenyl)-6-methyl-7,8-dihydroquinolin-5-one
PubChem CID118143785
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name2-chloro-6-(3-methoxyphenyl)-6-methyl-7,8-dihydroquinolin-5-one
SMILESCOc1cccc(C2(C)CCc3nc(Cl)ccc3C2=O)c1
InChIInChI=1S/C17H16ClNO2/c1-17(11-4-3-5-12(10-11)21-2)9-8-14-13(16(17)20)6-7-15(18)19-14/h3-7,10H,8-9H2,1-2H3
InChIKeyFCXHUNWKBKEWGY-UHFFFAOYSA-N
XLogP3.83
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-methoxyphenyl)-6-methyl-7,8-dihydroquinolin-5-one?
The IUPAC name of 2-chloro-6-(3-methoxyphenyl)-6-methyl-7,8-dihydroquinolin-5-one (CID 118143785) is 2-chloro-6-(3-methoxyphenyl)-6-methyl-7,8-dihydroquinolin-5-one.
What is the SMILES notation for 2-chloro-6-(3-methoxyphenyl)-6-methyl-7,8-dihydroquinolin-5-one?
The canonical SMILES for 2-chloro-6-(3-methoxyphenyl)-6-methyl-7,8-dihydroquinolin-5-one is COc1cccc(C2(C)CCc3nc(Cl)ccc3C2=O)c1.
What is the InChIKey of 2-chloro-6-(3-methoxyphenyl)-6-methyl-7,8-dihydroquinolin-5-one?
The InChIKey is FCXHUNWKBKEWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-17(11-4-3-5-12(10-11)21-2)9-8-14-13(16(17)20)6-7-15(18)19-14/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 2-chloro-6-(3-methoxyphenyl)-6-methyl-7,8-dihydroquinolin-5-one?
2-chloro-6-(3-methoxyphenyl)-6-methyl-7,8-dihydroquinolin-5-one has a molecular weight of 301.77 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-methoxyphenyl)-6-methyl-7,8-dihydroquinolin-5-one is sourced from PubChem (CID 118143785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).