2-[(E)-2-isoquinolin-4-ylethenyl]quinoline;hydrochloride

C20H15ClN2 — CID 166234809

IUPAC2-[(E)-2-isoquinolin-4-ylethenyl]quinoline;hydrochloride
SMILESC(=C/c1cncc2ccccc12)\c1ccc2ccccc2n1.Cl
InChIInChI=1S/C20H14N2.ClH/c1-3-7-19-16(6-1)13-21-14-17(19)10-12-18-11-9-15-5-2-4-8-20(15)22-18;/h1-14H;1H/b12-10+;
InChIKeyQVSZVJQLRFYHRC-VHPXAQPISA-N
MW318.81 g/mol
LogP5.38
Rot. Bonds2

About 2-[(E)-2-isoquinolin-4-ylethenyl]quinoline;hydrochloride

2-[(E)-2-isoquinolin-4-ylethenyl]quinoline;hydrochloride (PubChem CID 166234809) has the molecular formula C20H15ClN2 and a molecular weight of 318.81 g/mol. Its IUPAC name is 2-[(E)-2-isoquinolin-4-ylethenyl]quinoline;hydrochloride.

Molecular Properties

Compound Name2-[(E)-2-isoquinolin-4-ylethenyl]quinoline;hydrochloride
PubChem CID166234809
Molecular FormulaC20H15ClN2
Molecular Weight318.81 g/mol
Exact Mass318.09
IUPAC Name2-[(E)-2-isoquinolin-4-ylethenyl]quinoline;hydrochloride
SMILESC(=C/c1cncc2ccccc12)\c1ccc2ccccc2n1.Cl
InChIInChI=1S/C20H14N2.ClH/c1-3-7-19-16(6-1)13-21-14-17(19)10-12-18-11-9-15-5-2-4-8-20(15)22-18;/h1-14H;1H/b12-10+;
InChIKeyQVSZVJQLRFYHRC-VHPXAQPISA-N
XLogP5.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.81
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

hydron;isoquinoline-4-carbaldehyde
CID 174467251
2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]quinoline
CID 7945982
4-(2-methylsulfonylethenyl)isoquinoline
CID 71427427
2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline
CID 5377682
2-[(E)-2-(2-ethoxynaphthalen-1-yl)ethenyl]quinoline
CID 7945989
2-[(E)-2-[2-(pyridin-3-ylmethoxy)phenyl]ethenyl]quinoline
CID 52643093
N,N-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]aniline;hydrochloride
CID 6508810
2-(2-thiophen-2-ylethenyl)quinoline
CID 4107923
5-(methylamino)-2-[(E)-2-quinolin-2-ylethenyl]phenol
CID 135518122
4-(2-benzo[f]quinolin-3-ylethenyl)phenol
CID 137229369
4-[(E)-2-benzo[f]quinolin-3-ylethenyl]phenol
CID 137229184
2-(2-thiophen-3-ylethenyl)quinoline
CID 3618780

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-isoquinolin-4-ylethenyl]quinoline;hydrochloride?
The IUPAC name of 2-[(E)-2-isoquinolin-4-ylethenyl]quinoline;hydrochloride (CID 166234809) is 2-[(E)-2-isoquinolin-4-ylethenyl]quinoline;hydrochloride.
What is the SMILES notation for 2-[(E)-2-isoquinolin-4-ylethenyl]quinoline;hydrochloride?
The canonical SMILES for 2-[(E)-2-isoquinolin-4-ylethenyl]quinoline;hydrochloride is C(=C/c1cncc2ccccc12)\c1ccc2ccccc2n1.Cl.
What is the InChIKey of 2-[(E)-2-isoquinolin-4-ylethenyl]quinoline;hydrochloride?
The InChIKey is QVSZVJQLRFYHRC-VHPXAQPISA-N. The full InChI is InChI=1S/C20H14N2.ClH/c1-3-7-19-16(6-1)13-21-14-17(19)10-12-18-11-9-15-5-2-4-8-20(15)22-18;/h1-14H;1H/b12-10+;.
What are the key properties of 2-[(E)-2-isoquinolin-4-ylethenyl]quinoline;hydrochloride?
2-[(E)-2-isoquinolin-4-ylethenyl]quinoline;hydrochloride has a molecular weight of 318.81 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-isoquinolin-4-ylethenyl]quinoline;hydrochloride is sourced from PubChem (CID 166234809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).