3-ethyl-6-methoxy-2,8-dimethyl-1H-quinolin-4-one

C14H17NO2 — CID 62873195

IUPAC3-ethyl-6-methoxy-2,8-dimethyl-1H-quinolin-4-one
SMILESCCc1c(C)[nH]c2c(C)cc(OC)cc2c1=O
InChIInChI=1S/C14H17NO2/c1-5-11-9(3)15-13-8(2)6-10(17-4)7-12(13)14(11)16/h6-7H,5H2,1-4H3,(H,15,16)
InChIKeyLDAKDEMQIQWVDF-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.72
Rot. Bonds2

About 3-ethyl-6-methoxy-2,8-dimethyl-1H-quinolin-4-one

3-ethyl-6-methoxy-2,8-dimethyl-1H-quinolin-4-one (PubChem CID 62873195) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 3-ethyl-6-methoxy-2,8-dimethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-ethyl-6-methoxy-2,8-dimethyl-1H-quinolin-4-one
PubChem CID62873195
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name3-ethyl-6-methoxy-2,8-dimethyl-1H-quinolin-4-one
SMILESCCc1c(C)[nH]c2c(C)cc(OC)cc2c1=O
InChIInChI=1S/C14H17NO2/c1-5-11-9(3)15-13-8(2)6-10(17-4)7-12(13)14(11)16/h6-7H,5H2,1-4H3,(H,15,16)
InChIKeyLDAKDEMQIQWVDF-UHFFFAOYSA-N
XLogP2.72
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine
CID 82493658
2-ethyl-6-methoxy-8-methyl-1H-quinolin-4-one
CID 62873006
1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)propan-2-amine
CID 82495879
6-methoxy-8-methyl-2-propyl-1H-quinolin-4-one
CID 62872824
3-(2-aminoethyl)-6-methoxy-4,8-dimethyl-1H-quinolin-2-one
CID 84632299
(6,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium
CID 4247001
6-methoxy-4,8-dimethyl-3-[2-(methylamino)ethyl]-1H-quinolin-2-one
CID 84638196
7-methoxy-5-methyl-1,4-dihydroquinoxaline-2,3-dione
CID 142746096
2-methoxy-4,9-dimethyl-5H-phenanthridin-6-one;hydrochloride
CID 175751671
2-[5-methoxy-7-methyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
CID 5207147
3-[[ethyl-[(6-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]amino]methyl]-6-methoxy-2-methyl-1H-quinolin-4-one
CID 608539
6,8-dimethoxy-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one
CID 7212656

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methoxy-2,8-dimethyl-1H-quinolin-4-one?
The IUPAC name of 3-ethyl-6-methoxy-2,8-dimethyl-1H-quinolin-4-one (CID 62873195) is 3-ethyl-6-methoxy-2,8-dimethyl-1H-quinolin-4-one.
What is the SMILES notation for 3-ethyl-6-methoxy-2,8-dimethyl-1H-quinolin-4-one?
The canonical SMILES for 3-ethyl-6-methoxy-2,8-dimethyl-1H-quinolin-4-one is CCc1c(C)[nH]c2c(C)cc(OC)cc2c1=O.
What is the InChIKey of 3-ethyl-6-methoxy-2,8-dimethyl-1H-quinolin-4-one?
The InChIKey is LDAKDEMQIQWVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-5-11-9(3)15-13-8(2)6-10(17-4)7-12(13)14(11)16/h6-7H,5H2,1-4H3,(H,15,16).
What are the key properties of 3-ethyl-6-methoxy-2,8-dimethyl-1H-quinolin-4-one?
3-ethyl-6-methoxy-2,8-dimethyl-1H-quinolin-4-one has a molecular weight of 231.29 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methoxy-2,8-dimethyl-1H-quinolin-4-one is sourced from PubChem (CID 62873195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).