2-hexyl-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one

C17H21NO2 — CID 101102984

IUPAC2-hexyl-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one
SMILESCCCCCCC1Cc2c(c3ccccc3[nH]c2=O)O1
InChIInChI=1S/C17H21NO2/c1-2-3-4-5-8-12-11-14-16(20-12)13-9-6-7-10-15(13)18-17(14)19/h6-7,9-10,12H,2-5,8,11H2,1H3,(H,18,19)
InChIKeyUQCVDUDSWRNWIX-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.80
Rot. Bonds5

About 2-hexyl-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one

2-hexyl-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one (PubChem CID 101102984) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-hexyl-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one.

Molecular Properties

Compound Name2-hexyl-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one
PubChem CID101102984
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-hexyl-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one
SMILESCCCCCCC1Cc2c(c3ccccc3[nH]c2=O)O1
InChIInChI=1S/C17H21NO2/c1-2-3-4-5-8-12-11-14-16(20-12)13-9-6-7-10-15(13)18-17(14)19/h6-7,9-10,12H,2-5,8,11H2,1H3,(H,18,19)
InChIKeyUQCVDUDSWRNWIX-UHFFFAOYSA-N
XLogP3.80
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.80
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

2-(2-hydroxypropan-2-yl)-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one
CID 10610359
4-dodecyloxetan-2-one
CID 90110174
(3S)-3-pentadecyl-3,4-dihydroisochromen-1-one
CID 101031026
(3S)-3-heptyl-3,4-dihydroisochromen-1-one
CID 102208201
3-hydroxy-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one
CID 2784056
3-[(2-methyl-1H-indol-3-yl)methyl]-5-pentyloxolan-2-one
CID 3779512
4-methyl-3-pentyl-1H-quinolin-2-one
CID 46708124
3-heptyl-4-methyl-1H-quinolin-2-one
CID 70126082
(5S)-3-methylidene-5-octyloxolan-2-one
CID 13466845
(2R)-4-methyl-2-pentyl-2,3-dihydropyran-6-one
CID 129405234
3-methylidene-5-pentyloxolan-2-one
CID 10583238
(2S)-6-methyl-2-tridecyl-2,3-dihydropyran-4-one
CID 163108678

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one?
The IUPAC name of 2-hexyl-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one (CID 101102984) is 2-hexyl-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one.
What is the SMILES notation for 2-hexyl-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one?
The canonical SMILES for 2-hexyl-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one is CCCCCCC1Cc2c(c3ccccc3[nH]c2=O)O1.
What is the InChIKey of 2-hexyl-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one?
The InChIKey is UQCVDUDSWRNWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-2-3-4-5-8-12-11-14-16(20-12)13-9-6-7-10-15(13)18-17(14)19/h6-7,9-10,12H,2-5,8,11H2,1H3,(H,18,19).
What are the key properties of 2-hexyl-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one?
2-hexyl-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one has a molecular weight of 271.36 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one is sourced from PubChem (CID 101102984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).