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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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).