8-ethyl-7-methyl-1H-quinolin-4-one

C12H13NO — CID 165442308

IUPAC8-ethyl-7-methyl-1H-quinolin-4-one
SMILESCCc1c(C)ccc2c(=O)cc[nH]c12
InChIInChI=1S/C12H13NO/c1-3-9-8(2)4-5-10-11(14)6-7-13-12(9)10/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyNSYGIPFUDYRTPC-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.40
Rot. Bonds1

About 8-ethyl-7-methyl-1H-quinolin-4-one

8-ethyl-7-methyl-1H-quinolin-4-one (PubChem CID 165442308) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 8-ethyl-7-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name8-ethyl-7-methyl-1H-quinolin-4-one
PubChem CID165442308
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name8-ethyl-7-methyl-1H-quinolin-4-one
SMILESCCc1c(C)ccc2c(=O)cc[nH]c12
InChIInChI=1S/C12H13NO/c1-3-9-8(2)4-5-10-11(14)6-7-13-12(9)10/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyNSYGIPFUDYRTPC-UHFFFAOYSA-N
XLogP2.40
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,10-dihydro-1,10-phenanthroline-4,7-dione
CID 158267302
ethyl 3-(4-oxo-1H-quinolin-8-yl)prop-2-enoate
CID 169480931
8-(3-bromoprop-1-enyl)-1H-quinolin-4-one
CID 169476193
1,10-dihydro-1,10-phenanthroline-4,7-dione;tris(1,3-diphenylpropane-1,3-dione)
CID 160513391
10-chloro-1,9-dihydropyrido[3,2-g]quinoline-4,6-dione
CID 70636824
methyl 8-chloro-4-oxo-1H-quinoline-7-carboxylate
CID 24813935
8-(2H-triazol-4-yl)-1H-quinolin-4-one
CID 67815890
1-ethyl-5-fluoro-2-methylnaphthalene
CID 146553959
2-(chloromethyl)-3-methyl-1H-pyridin-4-one
CID 130836032
7-ethyl-6-methyl-1H-indazole
CID 134184119
7-chloro-6-methyl-1H-quinolin-4-one
CID 53418924
bis(2-ethyl-3-methylphenyl)methanone
CID 141055739

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-7-methyl-1H-quinolin-4-one?
The IUPAC name of 8-ethyl-7-methyl-1H-quinolin-4-one (CID 165442308) is 8-ethyl-7-methyl-1H-quinolin-4-one.
What is the SMILES notation for 8-ethyl-7-methyl-1H-quinolin-4-one?
The canonical SMILES for 8-ethyl-7-methyl-1H-quinolin-4-one is CCc1c(C)ccc2c(=O)cc[nH]c12.
What is the InChIKey of 8-ethyl-7-methyl-1H-quinolin-4-one?
The InChIKey is NSYGIPFUDYRTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-3-9-8(2)4-5-10-11(14)6-7-13-12(9)10/h4-7H,3H2,1-2H3,(H,13,14).
What are the key properties of 8-ethyl-7-methyl-1H-quinolin-4-one?
8-ethyl-7-methyl-1H-quinolin-4-one has a molecular weight of 187.24 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-7-methyl-1H-quinolin-4-one is sourced from PubChem (CID 165442308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).