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

C10H13NO — CID 118460090

IUPAC2-methyl-4,5,6,7-tetrahydro-3H-quinolin-8-one
SMILESCC1=NC2=C(CCCC2=O)CC1
InChIInChI=1S/C10H13NO/c1-7-5-6-8-3-2-4-9(12)10(8)11-7/h2-6H2,1H3
InChIKeyLIASZRDXKFVPQF-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.25
Rot. Bonds

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

2-methyl-4,5,6,7-tetrahydro-3H-quinolin-8-one (PubChem CID 118460090) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-methyl-4,5,6,7-tetrahydro-3H-quinolin-8-one.

Molecular Properties

Compound Name2-methyl-4,5,6,7-tetrahydro-3H-quinolin-8-one
PubChem CID118460090
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-methyl-4,5,6,7-tetrahydro-3H-quinolin-8-one
SMILESCC1=NC2=C(CCCC2=O)CC1
InChIInChI=1S/C10H13NO/c1-7-5-6-8-3-2-4-9(12)10(8)11-7/h2-6H2,1H3
InChIKeyLIASZRDXKFVPQF-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-5.6.7.8-tetrahydro-4-chinolon
CID 20721318
5,6,7,8-Tetrahydroquinolin-4-one
CID 91579652
2-Methyl-3,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-4-one
CID 20721313
2-Methyl-3,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one
CID 20721320
1-methyl-5,6,7,8-tetrahydro-3H-isoquinolin-4-one
CID 59830112
2-methyl-4,5-dihydro-3H-cyclopenta[b]pyrrol-6-one
CID 89409498
3-Methyl-2-(propan-2-ylideneamino)cyclohex-2-en-1-one
CID 118081521
3-iodo-2-methyl-5,6,7,8-tetrahydro-3H-quinolin-4-one
CID 129285873
lambda2-plumbane;5,6,7,8-tetrahydro-3H-quinolin-4-one
CID 173696247
2,3,4,5,6,7-hexahydro-1H-acridin-9-one
CID 178178485
2-(8-oxononyl)-5,6,7,8-tetrahydro-3H-quinolin-4-one
CID 24868444
2-Methyl-6,7-dihydroquinoline-3,8(4H,5H)-dione
CID 165348779

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5,6,7-tetrahydro-3H-quinolin-8-one?
The IUPAC name of 2-methyl-4,5,6,7-tetrahydro-3H-quinolin-8-one (CID 118460090) is 2-methyl-4,5,6,7-tetrahydro-3H-quinolin-8-one.
What is the SMILES notation for 2-methyl-4,5,6,7-tetrahydro-3H-quinolin-8-one?
The canonical SMILES for 2-methyl-4,5,6,7-tetrahydro-3H-quinolin-8-one is CC1=NC2=C(CCCC2=O)CC1.
What is the InChIKey of 2-methyl-4,5,6,7-tetrahydro-3H-quinolin-8-one?
The InChIKey is LIASZRDXKFVPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-7-5-6-8-3-2-4-9(12)10(8)11-7/h2-6H2,1H3.
What are the key properties of 2-methyl-4,5,6,7-tetrahydro-3H-quinolin-8-one?
2-methyl-4,5,6,7-tetrahydro-3H-quinolin-8-one has a molecular weight of 163.22 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5,6,7-tetrahydro-3H-quinolin-8-one is sourced from PubChem (CID 118460090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).