(6-chloro-4-phenylquinolin-3-yl) acetate

C17H12ClNO2 — CID 174381522

IUPAC(6-chloro-4-phenylquinolin-3-yl) acetate
SMILESCC(=O)Oc1cnc2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C17H12ClNO2/c1-11(20)21-16-10-19-15-8-7-13(18)9-14(15)17(16)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyVNAHAZQYFXOOHE-UHFFFAOYSA-N
MW297.74 g/mol
LogP4.48
Rot. Bonds2

About (6-chloro-4-phenylquinolin-3-yl) acetate

(6-chloro-4-phenylquinolin-3-yl) acetate (PubChem CID 174381522) has the molecular formula C17H12ClNO2 and a molecular weight of 297.74 g/mol. Its IUPAC name is (6-chloro-4-phenylquinolin-3-yl) acetate.

Molecular Properties

Compound Name(6-chloro-4-phenylquinolin-3-yl) acetate
PubChem CID174381522
Molecular FormulaC17H12ClNO2
Molecular Weight297.74 g/mol
Exact Mass297.06
IUPAC Name(6-chloro-4-phenylquinolin-3-yl) acetate
SMILESCC(=O)Oc1cnc2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C17H12ClNO2/c1-11(20)21-16-10-19-15-8-7-13(18)9-14(15)17(16)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyVNAHAZQYFXOOHE-UHFFFAOYSA-N
XLogP4.48
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-chloro-4-phenylquinolin-3-yl)acetamide
CID 10424681
methyl 6-chloro-4-phenylquinoline-3-carboxylate
CID 10447368
(6-chloro-4-phenylquinolin-3-yl)methanol
CID 21463132
1-(6-chloro-4-phenylquinolin-3-yl)-3-(2,4-dimethoxyphenyl)urea
CID 10071543
N-(6-chloro-4-phenylquinolin-3-yl)-2-phenylacetamide
CID 54395072
6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid
CID 626798
1-(6-chloro-4-phenylquinolin-3-yl)-3-(4-fluorophenyl)urea
CID 10453084
2-(3-acetyl-6-chloro-4-phenylquinolin-2-yl)oxy-1-phenylethanone
CID 16585350
(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl) acetate
CID 174726646
3,5-ditert-butyl-N-(6-chloro-4-phenylquinolin-3-yl)-4-hydroxybenzamide
CID 22403898
[2-[2-(4-acetyloxyquinolin-2-yl)ethenyl]-4-chlorophenyl] acetate
CID 2961401
(E)-4-(6-chloro-4-phenylcinnolin-3-yl)but-3-en-2-one
CID 154700727

Frequently Asked Questions

What is the IUPAC name of (6-chloro-4-phenylquinolin-3-yl) acetate?
The IUPAC name of (6-chloro-4-phenylquinolin-3-yl) acetate (CID 174381522) is (6-chloro-4-phenylquinolin-3-yl) acetate.
What is the SMILES notation for (6-chloro-4-phenylquinolin-3-yl) acetate?
The canonical SMILES for (6-chloro-4-phenylquinolin-3-yl) acetate is CC(=O)Oc1cnc2ccc(Cl)cc2c1-c1ccccc1.
What is the InChIKey of (6-chloro-4-phenylquinolin-3-yl) acetate?
The InChIKey is VNAHAZQYFXOOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2/c1-11(20)21-16-10-19-15-8-7-13(18)9-14(15)17(16)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of (6-chloro-4-phenylquinolin-3-yl) acetate?
(6-chloro-4-phenylquinolin-3-yl) acetate has a molecular weight of 297.74 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-4-phenylquinolin-3-yl) acetate is sourced from PubChem (CID 174381522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).