1-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propan-2-ol

C20H18ClNO — CID 77196103

IUPAC1-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propan-2-ol
SMILESCC(O)Cc1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1
InChIInChI=1S/C20H18ClNO/c1-14(23)11-16-4-2-3-15(12-16)5-9-19-10-7-17-6-8-18(21)13-20(17)22-19/h2-10,12-14,23H,11H2,1H3
InChIKeyQMXJDPKIRJLGOL-UHFFFAOYSA-N
MW323.82 g/mol
LogP4.98
Rot. Bonds4

About 1-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propan-2-ol

1-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propan-2-ol (PubChem CID 77196103) has the molecular formula C20H18ClNO and a molecular weight of 323.82 g/mol. Its IUPAC name is 1-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propan-2-ol
PubChem CID77196103
Molecular FormulaC20H18ClNO
Molecular Weight323.82 g/mol
Exact Mass323.11
IUPAC Name1-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propan-2-ol
SMILESCC(O)Cc1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1
InChIInChI=1S/C20H18ClNO/c1-14(23)11-16-4-2-3-15(12-16)5-9-19-10-7-17-6-8-18(21)13-20(17)22-19/h2-10,12-14,23H,11H2,1H3
InChIKeyQMXJDPKIRJLGOL-UHFFFAOYSA-N
XLogP4.98
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-2-[2-(3-methylphenyl)ethenyl]quinoline
CID 73429919
(4R)-3-benzyl-4-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-2-methyl-4-sulfanylbutan-2-ol
CID 173074317
methyl 2-[3-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-1-hydroxypropyl]benzoate
CID 67270844
7-chloro-2-[2-[3-[2-(oxiran-2-yl)ethenyl]phenyl]ethenyl]quinoline
CID 78107492
3-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(1-hydroxypropan-2-yl)phenyl]propanal
CID 87246458
(E)-4-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-2-cyclopropyl-1-methoxybut-3-en-1-ol
CID 90186974
5-[3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenoxy]phenyl]-4-[[1-(diethylamino)-1-oxopropan-2-yl]disulfanyl]pentanoic acid
CID 19857222
magnesium;3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzonitrile;hydride
CID 173379946
methyl 2-[3-[[3-[2-(7-chloroquinolin-2-yl)ethenyl]anilino]methyl]phenyl]acetate
CID 139809581
7-chloro-2-[2-[3-[(2S)-4-(2-prop-1-en-2-ylphenyl)butan-2-yl]phenyl]ethenyl]quinoline
CID 67017455
4-[3-carboxypropylsulfanyl-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]methyl]sulfanylbutanoic acid
CID 57131792
(E)-3-[4-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]prop-2-en-1-ol
CID 87897267

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propan-2-ol?
The IUPAC name of 1-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propan-2-ol (CID 77196103) is 1-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propan-2-ol.
What is the SMILES notation for 1-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propan-2-ol?
The canonical SMILES for 1-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propan-2-ol is CC(O)Cc1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1.
What is the InChIKey of 1-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propan-2-ol?
The InChIKey is QMXJDPKIRJLGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO/c1-14(23)11-16-4-2-3-15(12-16)5-9-19-10-7-17-6-8-18(21)13-20(17)22-19/h2-10,12-14,23H,11H2,1H3.
What are the key properties of 1-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propan-2-ol?
1-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propan-2-ol has a molecular weight of 323.82 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propan-2-ol is sourced from PubChem (CID 77196103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).