4-methoxy-4-quinolin-3-ylcyclohexa-2,5-dien-1-one

C16H13NO2 — CID 70923086

IUPAC4-methoxy-4-quinolin-3-ylcyclohexa-2,5-dien-1-one
SMILESCOC1(c2cnc3ccccc3c2)C=CC(=O)C=C1
InChIInChI=1S/C16H13NO2/c1-19-16(8-6-14(18)7-9-16)13-10-12-4-2-3-5-15(12)17-11-13/h2-11H,1H3
InChIKeyRVZGJMRXUFBKHF-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.77
Rot. Bonds2

About 4-methoxy-4-quinolin-3-ylcyclohexa-2,5-dien-1-one

4-methoxy-4-quinolin-3-ylcyclohexa-2,5-dien-1-one (PubChem CID 70923086) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 4-methoxy-4-quinolin-3-ylcyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name4-methoxy-4-quinolin-3-ylcyclohexa-2,5-dien-1-one
PubChem CID70923086
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name4-methoxy-4-quinolin-3-ylcyclohexa-2,5-dien-1-one
SMILESCOC1(c2cnc3ccccc3c2)C=CC(=O)C=C1
InChIInChI=1S/C16H13NO2/c1-19-16(8-6-14(18)7-9-16)13-10-12-4-2-3-5-15(12)17-11-13/h2-11H,1H3
InChIKeyRVZGJMRXUFBKHF-UHFFFAOYSA-N
XLogP2.77
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxypyrimidin-5-yl)quinoline
CID 101347673
methyl N-quinolin-3-ylcarbamate
CID 19697860
cis-(1R,2S)-2-methoxy-1-quinolin-3-ylcyclohexan-1-ol
CID 67826676
CID 174439431
CID 174439431
3-(3-chloro-1-methylcyclopentyl)quinoline
CID 116540254
3-methyl-3-quinolin-3-ylcyclopentan-1-ol
CID 116539964
3-[methyl(quinolin-3-yl)amino]cyclohex-2-en-1-one
CID 23652022
2,2-dimethyl-1-quinolin-3-ylcyclopentan-1-amine
CID 79857359
1-quinolin-3-ylpyrrole-2,5-dione
CID 62783124
tert-butyl 3-hydroxy-3-quinolin-3-ylazetidine-1-carboxylate
CID 103695996
3-propan-2-yl-1-quinolin-3-ylcyclobutan-1-ol
CID 103564190
quinolin-3-ylmethyl acetate
CID 101032812

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-quinolin-3-ylcyclohexa-2,5-dien-1-one?
The IUPAC name of 4-methoxy-4-quinolin-3-ylcyclohexa-2,5-dien-1-one (CID 70923086) is 4-methoxy-4-quinolin-3-ylcyclohexa-2,5-dien-1-one.
What is the SMILES notation for 4-methoxy-4-quinolin-3-ylcyclohexa-2,5-dien-1-one?
The canonical SMILES for 4-methoxy-4-quinolin-3-ylcyclohexa-2,5-dien-1-one is COC1(c2cnc3ccccc3c2)C=CC(=O)C=C1.
What is the InChIKey of 4-methoxy-4-quinolin-3-ylcyclohexa-2,5-dien-1-one?
The InChIKey is RVZGJMRXUFBKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-19-16(8-6-14(18)7-9-16)13-10-12-4-2-3-5-15(12)17-11-13/h2-11H,1H3.
What are the key properties of 4-methoxy-4-quinolin-3-ylcyclohexa-2,5-dien-1-one?
4-methoxy-4-quinolin-3-ylcyclohexa-2,5-dien-1-one has a molecular weight of 251.28 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-quinolin-3-ylcyclohexa-2,5-dien-1-one is sourced from PubChem (CID 70923086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).