4-methyl-3,6,7,8-tetrahydro-2H-quinolin-5-one

C10H13NO — CID 123817138

IUPAC4-methyl-3,6,7,8-tetrahydro-2H-quinolin-5-one
SMILESCC1=C2C(=O)CCCC2=NCC1
InChIInChI=1S/C10H13NO/c1-7-5-6-11-8-3-2-4-9(12)10(7)8/h2-6H2,1H3
InChIKeyFBVKITXYGDMMTB-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.90
Rot. Bonds

About 4-methyl-3,6,7,8-tetrahydro-2H-quinolin-5-one

4-methyl-3,6,7,8-tetrahydro-2H-quinolin-5-one (PubChem CID 123817138) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-methyl-3,6,7,8-tetrahydro-2H-quinolin-5-one.

Molecular Properties

Compound Name4-methyl-3,6,7,8-tetrahydro-2H-quinolin-5-one
PubChem CID123817138
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name4-methyl-3,6,7,8-tetrahydro-2H-quinolin-5-one
SMILESCC1=C2C(=O)CCCC2=NCC1
InChIInChI=1S/C10H13NO/c1-7-5-6-11-8-3-2-4-9(12)10(7)8/h2-6H2,1H3
InChIKeyFBVKITXYGDMMTB-UHFFFAOYSA-N
XLogP1.90
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Butylimino-4-methylcyclohex-3-ene-1,2-dione
CID 91032762
1-methyl-5,6,7,8-tetrahydro-3H-isoquinolin-4-one
CID 59830112
3,5,6,7-tetrahydro-2H-quinolin-8-one
CID 89337215
3-(2-Methyliminocyclohexylidene)butan-2-one
CID 123242686
3,6,7,8-tetrahydro-2H-quinolin-5-one
CID 123739950
2-methoxy-3,6,7,8-tetrahydro-2H-quinolin-5-one
CID 123870394

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,6,7,8-tetrahydro-2H-quinolin-5-one?
The IUPAC name of 4-methyl-3,6,7,8-tetrahydro-2H-quinolin-5-one (CID 123817138) is 4-methyl-3,6,7,8-tetrahydro-2H-quinolin-5-one.
What is the SMILES notation for 4-methyl-3,6,7,8-tetrahydro-2H-quinolin-5-one?
The canonical SMILES for 4-methyl-3,6,7,8-tetrahydro-2H-quinolin-5-one is CC1=C2C(=O)CCCC2=NCC1.
What is the InChIKey of 4-methyl-3,6,7,8-tetrahydro-2H-quinolin-5-one?
The InChIKey is FBVKITXYGDMMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-7-5-6-11-8-3-2-4-9(12)10(7)8/h2-6H2,1H3.
What are the key properties of 4-methyl-3,6,7,8-tetrahydro-2H-quinolin-5-one?
4-methyl-3,6,7,8-tetrahydro-2H-quinolin-5-one has a molecular weight of 163.22 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,6,7,8-tetrahydro-2H-quinolin-5-one is sourced from PubChem (CID 123817138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).