6-[chloro-(2,5-dimethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one

C18H18ClNO — CID 61085170

IUPAC6-[chloro-(2,5-dimethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(C)c(C(Cl)c2ccc3c(c2)CCC(=O)N3)c1
InChIInChI=1S/C18H18ClNO/c1-11-3-4-12(2)15(9-11)18(19)14-5-7-16-13(10-14)6-8-17(21)20-16/h3-5,7,9-10,18H,6,8H2,1-2H3,(H,20,21)
InChIKeyFBENZQLUAJQHRL-UHFFFAOYSA-N
MW299.80 g/mol
LogP4.52
Rot. Bonds2

About 6-[chloro-(2,5-dimethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one

6-[chloro-(2,5-dimethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 61085170) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is 6-[chloro-(2,5-dimethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[chloro-(2,5-dimethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID61085170
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name6-[chloro-(2,5-dimethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(C)c(C(Cl)c2ccc3c(c2)CCC(=O)N3)c1
InChIInChI=1S/C18H18ClNO/c1-11-3-4-12(2)15(9-11)18(19)14-5-7-16-13(10-14)6-8-17(21)20-16/h3-5,7,9-10,18H,6,8H2,1-2H3,(H,20,21)
InChIKeyFBENZQLUAJQHRL-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-[chloro-(2,4-dimethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61085790
6-[(2-bromo-3-methylphenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one
CID 107983452
5-[(2-bromo-5-methylphenyl)-chloromethyl]-1,3-dihydroindol-2-one
CID 81111417
6-[chloro-(5-methylfuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61085173
6-[(2-bromophenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one
CID 61086600
6-[1-chloro-2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 61083968
6-[(2-chloro-4-methylphenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one
CID 106862670
6-[chloro-(2,5-dibromophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 114374918
6-[(2-bromo-4-chlorophenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one
CID 107991468
6-[amino-(5-bromo-2-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 65308230
6-[chloro-(3-methylphenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61086076
6-[chloro-(3-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61083566

Frequently Asked Questions

What is the IUPAC name of 6-[chloro-(2,5-dimethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[chloro-(2,5-dimethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one (CID 61085170) is 6-[chloro-(2,5-dimethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[chloro-(2,5-dimethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[chloro-(2,5-dimethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one is Cc1ccc(C)c(C(Cl)c2ccc3c(c2)CCC(=O)N3)c1.
What is the InChIKey of 6-[chloro-(2,5-dimethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is FBENZQLUAJQHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/c1-11-3-4-12(2)15(9-11)18(19)14-5-7-16-13(10-14)6-8-17(21)20-16/h3-5,7,9-10,18H,6,8H2,1-2H3,(H,20,21).
What are the key properties of 6-[chloro-(2,5-dimethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
6-[chloro-(2,5-dimethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 299.80 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro-(2,5-dimethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 61085170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).