(2E)-1-butyl-2-[(E)-3-(1-butyl-2H-quinolin-2-yl)prop-2-enylidene]quinoline

C29H34N2 — CID 5478290

IUPAC(2E)-1-butyl-2-[(E)-3-(1-butyl-2H-quinolin-2-yl)prop-2-enylidene]quinoline
SMILESCCCCN1/C(=C/C=C/C2C=Cc3ccccc3N2CCCC)C=Cc2ccccc21
InChIInChI=1S/C29H34N2/c1-3-5-22-30-26(20-18-24-12-7-9-16-28(24)30)14-11-15-27-21-19-25-13-8-10-17-29(25)31(27)23-6-4-2/h7-21,26H,3-6,22-23H2,1-2H3/b14-11+,27-15+
InChIKeyNZRAJLBBQHXUNG-QNZJSASUSA-N
MW410.61 g/mol
LogP7.46
Rot. Bonds8

About (2E)-1-butyl-2-[(E)-3-(1-butyl-2H-quinolin-2-yl)prop-2-enylidene]quinoline

(2E)-1-butyl-2-[(E)-3-(1-butyl-2H-quinolin-2-yl)prop-2-enylidene]quinoline (PubChem CID 5478290) has the molecular formula C29H34N2 and a molecular weight of 410.61 g/mol. Its IUPAC name is (2E)-1-butyl-2-[(E)-3-(1-butyl-2H-quinolin-2-yl)prop-2-enylidene]quinoline.

Molecular Properties

Compound Name(2E)-1-butyl-2-[(E)-3-(1-butyl-2H-quinolin-2-yl)prop-2-enylidene]quinoline
PubChem CID5478290
Molecular FormulaC29H34N2
Molecular Weight410.61 g/mol
Exact Mass410.27
IUPAC Name(2E)-1-butyl-2-[(E)-3-(1-butyl-2H-quinolin-2-yl)prop-2-enylidene]quinoline
SMILESCCCCN1/C(=C/C=C/C2C=Cc3ccccc3N2CCCC)C=Cc2ccccc21
InChIInChI=1S/C29H34N2/c1-3-5-22-30-26(20-18-24-12-7-9-16-28(24)30)14-11-15-27-21-19-25-13-8-10-17-29(25)31(27)23-6-4-2/h7-21,26H,3-6,22-23H2,1-2H3/b14-11+,27-15+
InChIKeyNZRAJLBBQHXUNG-QNZJSASUSA-N
XLogP7.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.61
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze (2E)-1-butyl-2-[(E)-3-(1-butyl-2H-quinolin-2-yl)prop-2-enylidene]quinoline with MolForge

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Launch Full Analysis

Related Compounds

1-ethyl-2-[5-(1-ethyl-2H-quinolin-2-yl)penta-2,4-dienylidene]quinoline;4-methylbenzenesulfonic acid
CID 71363447
2-[(1-butylquinolin-2-ylidene)methyl]-4-[4-[3-[(1-butylquinolin-2-ylidene)methyl]-2,4-dihydroxycyclobutyl]phenyl]cyclobutane-1,3-diol
CID 164791426
(2E)-1-butyl-2-[(E)-3-(1-butylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline chloride
CID 54604713
3-[(E)-(1-butylquinolin-2-ylidene)methyl]-4-hydroxycyclobut-3-ene-1,2-dione
CID 101353829
2-ethenyl-1-ethyl-2H-quinoline
CID 130346368
3-[(E)-(1-butylquinolin-2-ylidene)methyl]-4-[2-[4-(dibutylamino)phenyl]-3,4-dioxocyclobuten-1-yl]cyclobut-3-ene-1,2-dione
CID 11039020
(2E)-1-butyl-2-[(E)-3-(1-butyl-3,3-dimethyl-2H-indol-2-yl)prop-2-enylidene]-3,3-dimethylindole
CID 58898863
2-methylidene-1,3-dioctylbenzimidazole
CID 168986251
4-(1-butylquinolin-2-ylidene)-2-[4-[4-[3-(1-butylquinolin-2-ylidene)-2-oxido-4-oxocyclobuten-1-yl]phenyl]phenyl]-3-oxocyclobuten-1-olate
CID 101175160
4-benzo[b][1]benzazepin-11-ylbutan-1-ol
CID 10869189
CID 177394292
CID 177394292
1-ethyl-2-[(E)-3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline
CID 6994242

Frequently Asked Questions

What is the IUPAC name of (2E)-1-butyl-2-[(E)-3-(1-butyl-2H-quinolin-2-yl)prop-2-enylidene]quinoline?
The IUPAC name of (2E)-1-butyl-2-[(E)-3-(1-butyl-2H-quinolin-2-yl)prop-2-enylidene]quinoline (CID 5478290) is (2E)-1-butyl-2-[(E)-3-(1-butyl-2H-quinolin-2-yl)prop-2-enylidene]quinoline.
What is the SMILES notation for (2E)-1-butyl-2-[(E)-3-(1-butyl-2H-quinolin-2-yl)prop-2-enylidene]quinoline?
The canonical SMILES for (2E)-1-butyl-2-[(E)-3-(1-butyl-2H-quinolin-2-yl)prop-2-enylidene]quinoline is CCCCN1/C(=C/C=C/C2C=Cc3ccccc3N2CCCC)C=Cc2ccccc21.
What is the InChIKey of (2E)-1-butyl-2-[(E)-3-(1-butyl-2H-quinolin-2-yl)prop-2-enylidene]quinoline?
The InChIKey is NZRAJLBBQHXUNG-QNZJSASUSA-N. The full InChI is InChI=1S/C29H34N2/c1-3-5-22-30-26(20-18-24-12-7-9-16-28(24)30)14-11-15-27-21-19-25-13-8-10-17-29(25)31(27)23-6-4-2/h7-21,26H,3-6,22-23H2,1-2H3/b14-11+,27-15+.
What are the key properties of (2E)-1-butyl-2-[(E)-3-(1-butyl-2H-quinolin-2-yl)prop-2-enylidene]quinoline?
(2E)-1-butyl-2-[(E)-3-(1-butyl-2H-quinolin-2-yl)prop-2-enylidene]quinoline has a molecular weight of 410.61 g/mol, XLogP of 7.46, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-butyl-2-[(E)-3-(1-butyl-2H-quinolin-2-yl)prop-2-enylidene]quinoline is sourced from PubChem (CID 5478290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).