2,6,8-trimethyl-4aH-quinolin-4-one

C12H13NO — CID 178203272

IUPAC2,6,8-trimethyl-4aH-quinolin-4-one
SMILESCC1=CC2C(=O)C=C(C)N=C2C(C)=C1
InChIInChI=1S/C12H13NO/c1-7-4-8(2)12-10(5-7)11(14)6-9(3)13-12/h4-6,10H,1-3H3
InChIKeySLOMLWYXBIBKOZ-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.44
Rot. Bonds

About 2,6,8-trimethyl-4aH-quinolin-4-one

2,6,8-trimethyl-4aH-quinolin-4-one (PubChem CID 178203272) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2,6,8-trimethyl-4aH-quinolin-4-one.

Molecular Properties

Compound Name2,6,8-trimethyl-4aH-quinolin-4-one
PubChem CID178203272
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2,6,8-trimethyl-4aH-quinolin-4-one
SMILESCC1=CC2C(=O)C=C(C)N=C2C(C)=C1
InChIInChI=1S/C12H13NO/c1-7-4-8(2)12-10(5-7)11(14)6-9(3)13-12/h4-6,10H,1-3H3
InChIKeySLOMLWYXBIBKOZ-UHFFFAOYSA-N
XLogP2.44
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-7-(trifluoromethyl)-4aH-quinolin-4-one
CID 45045236
6-fluoro-2-methyl-4aH-quinolin-4-one
CID 71650445
2-propyl-8-(trifluoromethyl)-8H-quinolin-4-one
CID 73358293
7-fluoro-2-propyl-4aH-quinolin-4-one
CID 74662016
2-propyl-7-(trifluoromethyl)-4aH-quinolin-4-one
CID 74662020
2-methyl-6-(trifluoromethyl)-4aH-quinolin-4-one
CID 77620573
2-methyl-8-(trifluoromethyl)-4aH-quinolin-4-one
CID 77620574
2-propyl-8-(trifluoromethyl)-4aH-quinolin-4-one
CID 77620591
7,8-difluoro-2-methyl-4aH-quinolin-4-one
CID 77620639
8-fluoro-2-propyl-4aH-quinolin-4-one
CID 77620731
6,8-difluoro-2-methyl-8H-quinolin-4-one
CID 78177471
2-propan-2-yl-4aH-quinolin-4-one
CID 74887308

Frequently Asked Questions

What is the IUPAC name of 2,6,8-trimethyl-4aH-quinolin-4-one?
The IUPAC name of 2,6,8-trimethyl-4aH-quinolin-4-one (CID 178203272) is 2,6,8-trimethyl-4aH-quinolin-4-one.
What is the SMILES notation for 2,6,8-trimethyl-4aH-quinolin-4-one?
The canonical SMILES for 2,6,8-trimethyl-4aH-quinolin-4-one is CC1=CC2C(=O)C=C(C)N=C2C(C)=C1.
What is the InChIKey of 2,6,8-trimethyl-4aH-quinolin-4-one?
The InChIKey is SLOMLWYXBIBKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-7-4-8(2)12-10(5-7)11(14)6-9(3)13-12/h4-6,10H,1-3H3.
What are the key properties of 2,6,8-trimethyl-4aH-quinolin-4-one?
2,6,8-trimethyl-4aH-quinolin-4-one has a molecular weight of 187.24 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,8-trimethyl-4aH-quinolin-4-one is sourced from PubChem (CID 178203272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).