3-chloro-2-(2-phenylethenyl)-1H-quinolin-4-one

C17H12ClNO — CID 91989561

IUPAC3-chloro-2-(2-phenylethenyl)-1H-quinolin-4-one
SMILESO=c1c(Cl)c(C=Cc2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C17H12ClNO/c18-16-15(11-10-12-6-2-1-3-7-12)19-14-9-5-4-8-13(14)17(16)20/h1-11H,(H,19,20)
InChIKeyVSQANURRRRYAFM-UHFFFAOYSA-N
MW281.74 g/mol
LogP4.35
Rot. Bonds2

About 3-chloro-2-(2-phenylethenyl)-1H-quinolin-4-one

3-chloro-2-(2-phenylethenyl)-1H-quinolin-4-one (PubChem CID 91989561) has the molecular formula C17H12ClNO and a molecular weight of 281.74 g/mol. Its IUPAC name is 3-chloro-2-(2-phenylethenyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name3-chloro-2-(2-phenylethenyl)-1H-quinolin-4-one
PubChem CID91989561
Molecular FormulaC17H12ClNO
Molecular Weight281.74 g/mol
Exact Mass281.06
IUPAC Name3-chloro-2-(2-phenylethenyl)-1H-quinolin-4-one
SMILESO=c1c(Cl)c(C=Cc2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C17H12ClNO/c18-16-15(11-10-12-6-2-1-3-7-12)19-14-9-5-4-8-13(14)17(16)20/h1-11H,(H,19,20)
InChIKeyVSQANURRRRYAFM-UHFFFAOYSA-N
XLogP4.35
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-chloro-2-(2-phenylethenyl)-1H-quinolin-4-one 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

3-[(E)-2-(4-chlorophenyl)ethenyl]-2-[(E)-2-phenylethenyl]-1H-indole
CID 122628074
phenyl-[2-[(E)-2-phenylethenyl]-1H-indol-3-yl]methanone
CID 10314121
2-[(E)-2-phenylethenyl]-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole
CID 122628095
4-chloro-2-[(E)-2-phenylethenyl]-1H-indole
CID 118657841
10H-acridin-9-one
CID 22753806
9H-carbazole;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
CID 87061574
(E)-3-(3-chloro-1H-indol-2-yl)-1-phenylprop-2-en-1-one
CID 138966076
anthracene;9H-carbazole;(E)-stilbene;thioxanthen-9-one
CID 157341353
10H-acridin-9-one;ethane
CID 91525380
3,4-dichloro-10H-acridin-9-one
CID 138629142
3-acetyl-4-[(E)-2-phenylethenyl]-1H-quinolin-2-one
CID 162395799
3-[2-(2-chlorophenyl)ethenyl]-2-methyl-1H-quinolin-4-one
CID 23824842

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-phenylethenyl)-1H-quinolin-4-one?
The IUPAC name of 3-chloro-2-(2-phenylethenyl)-1H-quinolin-4-one (CID 91989561) is 3-chloro-2-(2-phenylethenyl)-1H-quinolin-4-one.
What is the SMILES notation for 3-chloro-2-(2-phenylethenyl)-1H-quinolin-4-one?
The canonical SMILES for 3-chloro-2-(2-phenylethenyl)-1H-quinolin-4-one is O=c1c(Cl)c(C=Cc2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 3-chloro-2-(2-phenylethenyl)-1H-quinolin-4-one?
The InChIKey is VSQANURRRRYAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO/c18-16-15(11-10-12-6-2-1-3-7-12)19-14-9-5-4-8-13(14)17(16)20/h1-11H,(H,19,20).
What are the key properties of 3-chloro-2-(2-phenylethenyl)-1H-quinolin-4-one?
3-chloro-2-(2-phenylethenyl)-1H-quinolin-4-one has a molecular weight of 281.74 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-phenylethenyl)-1H-quinolin-4-one is sourced from PubChem (CID 91989561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).