3-[methyl(quinolin-3-yl)amino]cyclohex-2-en-1-one

C16H16N2O — CID 23652022

IUPAC3-[methyl(quinolin-3-yl)amino]cyclohex-2-en-1-one
SMILESCN(C1=CC(=O)CCC1)c1cnc2ccccc2c1
InChIInChI=1S/C16H16N2O/c1-18(13-6-4-7-15(19)10-13)14-9-12-5-2-3-8-16(12)17-11-14/h2-3,5,8-11H,4,6-7H2,1H3
InChIKeyCGQSURUJZTYJMW-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.31
Rot. Bonds2

About 3-[methyl(quinolin-3-yl)amino]cyclohex-2-en-1-one

3-[methyl(quinolin-3-yl)amino]cyclohex-2-en-1-one (PubChem CID 23652022) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[methyl(quinolin-3-yl)amino]cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-[methyl(quinolin-3-yl)amino]cyclohex-2-en-1-one
PubChem CID23652022
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name3-[methyl(quinolin-3-yl)amino]cyclohex-2-en-1-one
SMILESCN(C1=CC(=O)CCC1)c1cnc2ccccc2c1
InChIInChI=1S/C16H16N2O/c1-18(13-6-4-7-15(19)10-13)14-9-12-5-2-3-8-16(12)17-11-14/h2-3,5,8-11H,4,6-7H2,1H3
InChIKeyCGQSURUJZTYJMW-UHFFFAOYSA-N
XLogP3.31
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(quinolin-3-yl)amino]cyclohex-2-en-1-one?
The IUPAC name of 3-[methyl(quinolin-3-yl)amino]cyclohex-2-en-1-one (CID 23652022) is 3-[methyl(quinolin-3-yl)amino]cyclohex-2-en-1-one.
What is the SMILES notation for 3-[methyl(quinolin-3-yl)amino]cyclohex-2-en-1-one?
The canonical SMILES for 3-[methyl(quinolin-3-yl)amino]cyclohex-2-en-1-one is CN(C1=CC(=O)CCC1)c1cnc2ccccc2c1.
What is the InChIKey of 3-[methyl(quinolin-3-yl)amino]cyclohex-2-en-1-one?
The InChIKey is CGQSURUJZTYJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-18(13-6-4-7-15(19)10-13)14-9-12-5-2-3-8-16(12)17-11-14/h2-3,5,8-11H,4,6-7H2,1H3.
What are the key properties of 3-[methyl(quinolin-3-yl)amino]cyclohex-2-en-1-one?
3-[methyl(quinolin-3-yl)amino]cyclohex-2-en-1-one has a molecular weight of 252.32 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(quinolin-3-yl)amino]cyclohex-2-en-1-one is sourced from PubChem (CID 23652022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).