(E)-3-[4-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]prop-2-en-1-ol

C20H16ClNO — CID 87897267

IUPAC(E)-3-[4-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]prop-2-en-1-ol
SMILESOC/C=C/c1ccc(/C=C/c2ccc3ccc(Cl)cc3n2)cc1
InChIInChI=1S/C20H16ClNO/c21-18-10-8-17-9-12-19(22-20(17)14-18)11-7-16-5-3-15(4-6-16)2-1-13-23/h1-12,14,23H,13H2/b2-1+,11-7+
InChIKeyLXSFPBZMUGRCDM-IOHLXRPMSA-N
MW321.81 g/mol
LogP5.06
Rot. Bonds4

About (E)-3-[4-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]prop-2-en-1-ol

(E)-3-[4-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]prop-2-en-1-ol (PubChem CID 87897267) has the molecular formula C20H16ClNO and a molecular weight of 321.81 g/mol. Its IUPAC name is (E)-3-[4-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[4-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]prop-2-en-1-ol
PubChem CID87897267
Molecular FormulaC20H16ClNO
Molecular Weight321.81 g/mol
Exact Mass321.09
IUPAC Name(E)-3-[4-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]prop-2-en-1-ol
SMILESOC/C=C/c1ccc(/C=C/c2ccc3ccc(Cl)cc3n2)cc1
InChIInChI=1S/C20H16ClNO/c21-18-10-8-17-9-12-19(22-20(17)14-18)11-7-16-5-3-15(4-6-16)2-1-13-23/h1-12,14,23H,13H2/b2-1+,11-7+
InChIKeyLXSFPBZMUGRCDM-IOHLXRPMSA-N
XLogP5.06
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.81
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (E)-3-[4-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]prop-2-en-1-ol with MolForge

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Related Compounds

2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline
CID 5377682
7-chloro-2-[2-(3-methylphenyl)ethenyl]quinoline
CID 73429919
6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinoline
CID 56649871
7-chloro-2-[(E)-2-(4-methoxy-3-methylphenyl)ethenyl]quinoline
CID 18284055
1-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propan-2-ol
CID 77196103
7-chloro-2-[(E)-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]quinoline
CID 18230825
6-chloro-2-[2-(4-methoxyphenyl)ethenyl]quinoline
CID 71329713
3-[(E)-2-(6-chloroquinolin-2-yl)ethenyl]phenol
CID 10039389
magnesium;3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzonitrile;hydride
CID 173379946
7-chloro-2-[(E)-2-thiophen-2-ylethenyl]quinoline
CID 18149996
7-chloro-2-[2-[3-[2-(oxiran-2-yl)ethenyl]phenyl]ethenyl]quinoline
CID 78107492
(E)-3-(7-chloroquinolin-2-yl)-N-methylprop-2-enamide
CID 110490314

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[4-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]prop-2-en-1-ol (CID 87897267) is (E)-3-[4-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[4-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[4-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]prop-2-en-1-ol is OC/C=C/c1ccc(/C=C/c2ccc3ccc(Cl)cc3n2)cc1.
What is the InChIKey of (E)-3-[4-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]prop-2-en-1-ol?
The InChIKey is LXSFPBZMUGRCDM-IOHLXRPMSA-N. The full InChI is InChI=1S/C20H16ClNO/c21-18-10-8-17-9-12-19(22-20(17)14-18)11-7-16-5-3-15(4-6-16)2-1-13-23/h1-12,14,23H,13H2/b2-1+,11-7+.
What are the key properties of (E)-3-[4-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]prop-2-en-1-ol?
(E)-3-[4-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]prop-2-en-1-ol has a molecular weight of 321.81 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]prop-2-en-1-ol is sourced from PubChem (CID 87897267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).