(2Z,3E)-2,3-di(ethylidene)benzo[f]quinoline

C17H15N — CID 138606344

IUPAC(2Z,3E)-2,3-di(ethylidene)benzo[f]quinoline
SMILESC/C=c1/cc2c(ccc3ccccc32)n/c1=C/C
InChIInChI=1S/C17H15N/c1-3-12-11-15-14-8-6-5-7-13(14)9-10-17(15)18-16(12)4-2/h3-11H,1-2H3/b12-3-,16-4+
InChIKeyKEYNAGPFPGJVEY-MJPJRLMJSA-N
MW233.31 g/mol
LogP2.99
Rot. Bonds

About (2Z,3E)-2,3-di(ethylidene)benzo[f]quinoline

(2Z,3E)-2,3-di(ethylidene)benzo[f]quinoline (PubChem CID 138606344) has the molecular formula C17H15N and a molecular weight of 233.31 g/mol. Its IUPAC name is (2Z,3E)-2,3-di(ethylidene)benzo[f]quinoline.

Molecular Properties

Compound Name(2Z,3E)-2,3-di(ethylidene)benzo[f]quinoline
PubChem CID138606344
Molecular FormulaC17H15N
Molecular Weight233.31 g/mol
Exact Mass233.12
IUPAC Name(2Z,3E)-2,3-di(ethylidene)benzo[f]quinoline
SMILESC/C=c1/cc2c(ccc3ccccc32)n/c1=C/C
InChIInChI=1S/C17H15N/c1-3-12-11-15-14-8-6-5-7-13(14)9-10-17(15)18-16(12)4-2/h3-11H,1-2H3/b12-3-,16-4+
InChIKeyKEYNAGPFPGJVEY-MJPJRLMJSA-N
XLogP2.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylbenzo[a]acridin-9-amine
CID 23422075
(2E,3Z)-2,3-di(ethylidene)-4-methylquinoline;ethane
CID 143448239
ethane;methane;phenanthrene
CID 144938954
ethane;methane;phenanthrene
CID 144939263
anthracene;benzene;ethane;methane;naphthalene;phenanthrene
CID 165100434
phenanthrene;sulfane
CID 159172584
phenanthrene;phosphane
CID 161431298
phenanthrene;toluene
CID 158347700
(2E,3Z)-2,3-di(ethylidene)-6-(10-methylanthracen-9-yl)pyridine
CID 143445076
benzo[f]quinoline-3-carbaldehyde
CID 102020467
8,10-diethylbenzo[a]acridine
CID 625263
naphtho[1,2-b]phenanthrene
CID 5889

Frequently Asked Questions

What is the IUPAC name of (2Z,3E)-2,3-di(ethylidene)benzo[f]quinoline?
The IUPAC name of (2Z,3E)-2,3-di(ethylidene)benzo[f]quinoline (CID 138606344) is (2Z,3E)-2,3-di(ethylidene)benzo[f]quinoline.
What is the SMILES notation for (2Z,3E)-2,3-di(ethylidene)benzo[f]quinoline?
The canonical SMILES for (2Z,3E)-2,3-di(ethylidene)benzo[f]quinoline is C/C=c1/cc2c(ccc3ccccc32)n/c1=C/C.
What is the InChIKey of (2Z,3E)-2,3-di(ethylidene)benzo[f]quinoline?
The InChIKey is KEYNAGPFPGJVEY-MJPJRLMJSA-N. The full InChI is InChI=1S/C17H15N/c1-3-12-11-15-14-8-6-5-7-13(14)9-10-17(15)18-16(12)4-2/h3-11H,1-2H3/b12-3-,16-4+.
What are the key properties of (2Z,3E)-2,3-di(ethylidene)benzo[f]quinoline?
(2Z,3E)-2,3-di(ethylidene)benzo[f]quinoline has a molecular weight of 233.31 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3E)-2,3-di(ethylidene)benzo[f]quinoline is sourced from PubChem (CID 138606344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).