2,3,6-trimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one

C12H17NO — CID 129299551

IUPAC2,3,6-trimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESCc1[nH]c2c(c(=O)c1C)CC(C)CC2
InChIInChI=1S/C12H17NO/c1-7-4-5-11-10(6-7)12(14)8(2)9(3)13-11/h7H,4-6H2,1-3H3,(H,13,14)
InChIKeyHSEFFMUMUAWSPF-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.12
Rot. Bonds

About 2,3,6-trimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one

2,3,6-trimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one (PubChem CID 129299551) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2,3,6-trimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one.

Molecular Properties

Compound Name2,3,6-trimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
PubChem CID129299551
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2,3,6-trimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESCc1[nH]c2c(c(=O)c1C)CC(C)CC2
InChIInChI=1S/C12H17NO/c1-7-4-5-11-10(6-7)12(14)8(2)9(3)13-11/h7H,4-6H2,1-3H3,(H,13,14)
InChIKeyHSEFFMUMUAWSPF-UHFFFAOYSA-N
XLogP2.12
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-acetyl-2,4,7,7-tetramethyl-4,6,7,8-tetrahydro-5(1H)-quinolinone
CID 3111851
3,3,6,6,9-pentamethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
CID 379950
4-Butyl-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CID 2766164
3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
CID 379938
9H-Cyclopenta(b)quinolin-9-one, 1,2,3,4,5,6,7,8-octahydro-
CID 3041823
9-Isopropyl-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-2H,5H-acridine-1,8-dione
CID 4083140
2-Methyl-5,6,7,8-tetrahydroquinolin-4(1H)-one
CID 12798227
9-Ethyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 2729057
1,8(2H,5H)-Acridinedione, 3,4,6,7,9,10-hexahydro-9-methyl-
CID 11680238
2-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 129285879
2-methyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 129285891
3-iodo-2-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 129285954

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The IUPAC name of 2,3,6-trimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one (CID 129299551) is 2,3,6-trimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one.
What is the SMILES notation for 2,3,6-trimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The canonical SMILES for 2,3,6-trimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one is Cc1[nH]c2c(c(=O)c1C)CC(C)CC2.
What is the InChIKey of 2,3,6-trimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The InChIKey is HSEFFMUMUAWSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-7-4-5-11-10(6-7)12(14)8(2)9(3)13-11/h7H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 2,3,6-trimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
2,3,6-trimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one has a molecular weight of 191.27 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one is sourced from PubChem (CID 129299551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).