3,6-diethyl-2,3-dihydro-1H-quinolin-4-one

C13H17NO — CID 142549249

IUPAC3,6-diethyl-2,3-dihydro-1H-quinolin-4-one
SMILESCCc1ccc2c(c1)C(=O)C(CC)CN2
InChIInChI=1S/C13H17NO/c1-3-9-5-6-12-11(7-9)13(15)10(4-2)8-14-12/h5-7,10,14H,3-4,8H2,1-2H3
InChIKeyFAMJRCMURIECHF-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.88
Rot. Bonds2

About 3,6-diethyl-2,3-dihydro-1H-quinolin-4-one

3,6-diethyl-2,3-dihydro-1H-quinolin-4-one (PubChem CID 142549249) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 3,6-diethyl-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name3,6-diethyl-2,3-dihydro-1H-quinolin-4-one
PubChem CID142549249
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name3,6-diethyl-2,3-dihydro-1H-quinolin-4-one
SMILESCCc1ccc2c(c1)C(=O)C(CC)CN2
InChIInChI=1S/C13H17NO/c1-3-9-5-6-12-11(7-9)13(15)10(4-2)8-14-12/h5-7,10,14H,3-4,8H2,1-2H3
InChIKeyFAMJRCMURIECHF-UHFFFAOYSA-N
XLogP2.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of 3,6-diethyl-2,3-dihydro-1H-quinolin-4-one (CID 142549249) is 3,6-diethyl-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for 3,6-diethyl-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for 3,6-diethyl-2,3-dihydro-1H-quinolin-4-one is CCc1ccc2c(c1)C(=O)C(CC)CN2.
What is the InChIKey of 3,6-diethyl-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is FAMJRCMURIECHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-9-5-6-12-11(7-9)13(15)10(4-2)8-14-12/h5-7,10,14H,3-4,8H2,1-2H3.
What are the key properties of 3,6-diethyl-2,3-dihydro-1H-quinolin-4-one?
3,6-diethyl-2,3-dihydro-1H-quinolin-4-one has a molecular weight of 203.28 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 142549249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).