4-[(2E)-2-(1-ethylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one

C19H17NO — CID 58082024

IUPAC4-[(2E)-2-(1-ethylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
SMILESCCN1C=C/C(=C\C=C2C=CC(=O)C=C2)c2ccccc21
InChIInChI=1S/C19H17NO/c1-2-20-14-13-16(18-5-3-4-6-19(18)20)10-7-15-8-11-17(21)12-9-15/h3-14H,2H2,1H3/b16-10+
InChIKeyXBYXPLSHTJMRET-MHWRWJLKSA-N
MW275.35 g/mol
LogP4.05
Rot. Bonds2

About 4-[(2E)-2-(1-ethylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one

4-[(2E)-2-(1-ethylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one (PubChem CID 58082024) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-[(2E)-2-(1-ethylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name4-[(2E)-2-(1-ethylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
PubChem CID58082024
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name4-[(2E)-2-(1-ethylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
SMILESCCN1C=C/C(=C\C=C2C=CC(=O)C=C2)c2ccccc21
InChIInChI=1S/C19H17NO/c1-2-20-14-13-16(18-5-3-4-6-19(18)20)10-7-15-8-11-17(21)12-9-15/h3-14H,2H2,1H3/b16-10+
InChIKeyXBYXPLSHTJMRET-MHWRWJLKSA-N
XLogP4.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-(1-ethylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one?
The IUPAC name of 4-[(2E)-2-(1-ethylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one (CID 58082024) is 4-[(2E)-2-(1-ethylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one.
What is the SMILES notation for 4-[(2E)-2-(1-ethylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one?
The canonical SMILES for 4-[(2E)-2-(1-ethylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one is CCN1C=C/C(=C\C=C2C=CC(=O)C=C2)c2ccccc21.
What is the InChIKey of 4-[(2E)-2-(1-ethylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one?
The InChIKey is XBYXPLSHTJMRET-MHWRWJLKSA-N. The full InChI is InChI=1S/C19H17NO/c1-2-20-14-13-16(18-5-3-4-6-19(18)20)10-7-15-8-11-17(21)12-9-15/h3-14H,2H2,1H3/b16-10+.
What are the key properties of 4-[(2E)-2-(1-ethylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one?
4-[(2E)-2-(1-ethylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one has a molecular weight of 275.35 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-(1-ethylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 58082024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).