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

C15H21NO2 — CID 13109818

IUPAC6-hexoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCCCCCCOc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C15H21NO2/c1-2-3-4-5-10-18-13-7-8-14-12(11-13)6-9-15(17)16-14/h7-8,11H,2-6,9-10H2,1H3,(H,16,17)
InChIKeyVLUAMYSVXNMCME-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.53
Rot. Bonds6

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

6-hexoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 13109818) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 6-hexoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-hexoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID13109818
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name6-hexoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCCCCCCOc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C15H21NO2/c1-2-3-4-5-10-18-13-7-8-14-12(11-13)6-9-15(17)16-14/h7-8,11H,2-6,9-10H2,1H3,(H,16,17)
InChIKeyVLUAMYSVXNMCME-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethoxyquin
CID 3293
Haplamine
CID 648601
6-Ethoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline
CID 86013
2-cyclohexyl-N-(4-methoxyphenyl)acetamide
CID 880925
N-(4-Methoxy-2-methylphenyl)-acetamide
CID 95082
Benzamide, N-(4-ethoxyphenyl)-
CID 203878
6-Ethoxy-2-methyl-4-quinolinol
CID 730934
Quinoline, 1,2,3,4-tetrahydro-6-methoxy-
CID 67113
2-Hydroxy-6-methoxy-4-methylquinoline
CID 220017
6-Hydroxy-3,4-dihydro-2(1H)-quinolinone
CID 2774040
(4Z)-N-(4-ethoxyphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5917797
N-(4-methoxyphenyl)-2-phenylacetamide
CID 531989

Frequently Asked Questions

What is the IUPAC name of 6-hexoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-hexoxy-3,4-dihydro-1H-quinolin-2-one (CID 13109818) is 6-hexoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-hexoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-hexoxy-3,4-dihydro-1H-quinolin-2-one is CCCCCCOc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-hexoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is VLUAMYSVXNMCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-3-4-5-10-18-13-7-8-14-12(11-13)6-9-15(17)16-14/h7-8,11H,2-6,9-10H2,1H3,(H,16,17).
What are the key properties of 6-hexoxy-3,4-dihydro-1H-quinolin-2-one?
6-hexoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 247.34 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 13109818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).