3-(cyclohexa-1,3-dien-1-ylmethoxy)-1H-quinolin-4-one

C16H15NO2 — CID 67636357

IUPAC3-(cyclohexa-1,3-dien-1-ylmethoxy)-1H-quinolin-4-one
SMILESO=c1c(OCC2=CC=CCC2)c[nH]c2ccccc12
InChIInChI=1S/C16H15NO2/c18-16-13-8-4-5-9-14(13)17-10-15(16)19-11-12-6-2-1-3-7-12/h1-2,4-6,8-10H,3,7,11H2,(H,17,18)
InChIKeyKXSJGSXLECNWRA-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.18
Rot. Bonds3

About 3-(cyclohexa-1,3-dien-1-ylmethoxy)-1H-quinolin-4-one

3-(cyclohexa-1,3-dien-1-ylmethoxy)-1H-quinolin-4-one (PubChem CID 67636357) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-(cyclohexa-1,3-dien-1-ylmethoxy)-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(cyclohexa-1,3-dien-1-ylmethoxy)-1H-quinolin-4-one
PubChem CID67636357
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name3-(cyclohexa-1,3-dien-1-ylmethoxy)-1H-quinolin-4-one
SMILESO=c1c(OCC2=CC=CCC2)c[nH]c2ccccc12
InChIInChI=1S/C16H15NO2/c18-16-13-8-4-5-9-14(13)17-10-15(16)19-11-12-6-2-1-3-7-12/h1-2,4-6,8-10H,3,7,11H2,(H,17,18)
InChIKeyKXSJGSXLECNWRA-UHFFFAOYSA-N
XLogP3.18
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(bromomethoxy)-1H-quinolin-4-one
CID 156738403
3-ethyl-1H-quinolin-4-one
CID 10374897
1H-indol-3-yloxymethanol
CID 169101748
3-(methylamino)-1H-quinolin-4-one
CID 119084506
2-(1H-indol-3-yloxy)ethyl-trimethylazanium
CID 173099162
carbon monoxide;cyclohexa-1,3-dien-1-ylmethylbenzene;iron
CID 134899552
3-[2-(azetidin-1-yl)-2-oxoethyl]-1H-quinolin-4-one
CID 166302710
3-(3,4-dimethoxybenzoyl)-1H-quinolin-4-one
CID 53337347
1H-indol-3-yloxy hydrogen sulfate
CID 141479579
3-[[5-[[3-[bis(1H-indol-3-yl)methyl]-4-phenylmethoxyphenyl]methyl]-2-phenylmethoxyphenyl]-(1H-indol-3-yl)methyl]-1H-indole
CID 139225224
4-oxo-N'-(3,4,5-triethoxybenzoyl)-1H-quinoline-3-carbohydrazide
CID 55602361
3-methylperoxy-1H-indole
CID 21122990

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexa-1,3-dien-1-ylmethoxy)-1H-quinolin-4-one?
The IUPAC name of 3-(cyclohexa-1,3-dien-1-ylmethoxy)-1H-quinolin-4-one (CID 67636357) is 3-(cyclohexa-1,3-dien-1-ylmethoxy)-1H-quinolin-4-one.
What is the SMILES notation for 3-(cyclohexa-1,3-dien-1-ylmethoxy)-1H-quinolin-4-one?
The canonical SMILES for 3-(cyclohexa-1,3-dien-1-ylmethoxy)-1H-quinolin-4-one is O=c1c(OCC2=CC=CCC2)c[nH]c2ccccc12.
What is the InChIKey of 3-(cyclohexa-1,3-dien-1-ylmethoxy)-1H-quinolin-4-one?
The InChIKey is KXSJGSXLECNWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c18-16-13-8-4-5-9-14(13)17-10-15(16)19-11-12-6-2-1-3-7-12/h1-2,4-6,8-10H,3,7,11H2,(H,17,18).
What are the key properties of 3-(cyclohexa-1,3-dien-1-ylmethoxy)-1H-quinolin-4-one?
3-(cyclohexa-1,3-dien-1-ylmethoxy)-1H-quinolin-4-one has a molecular weight of 253.30 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexa-1,3-dien-1-ylmethoxy)-1H-quinolin-4-one is sourced from PubChem (CID 67636357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).