methyl 6-chloro-4-phenylquinoline-3-carboxylate

C17H12ClNO2 — CID 10447368

IUPACmethyl 6-chloro-4-phenylquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C17H12ClNO2/c1-21-17(20)14-10-19-15-8-7-12(18)9-13(15)16(14)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyRMWGWZJSDYCSSG-UHFFFAOYSA-N
MW297.74 g/mol
LogP4.34
Rot. Bonds2

About methyl 6-chloro-4-phenylquinoline-3-carboxylate

methyl 6-chloro-4-phenylquinoline-3-carboxylate (PubChem CID 10447368) has the molecular formula C17H12ClNO2 and a molecular weight of 297.74 g/mol. Its IUPAC name is methyl 6-chloro-4-phenylquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-4-phenylquinoline-3-carboxylate
PubChem CID10447368
Molecular FormulaC17H12ClNO2
Molecular Weight297.74 g/mol
Exact Mass297.06
IUPAC Namemethyl 6-chloro-4-phenylquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C17H12ClNO2/c1-21-17(20)14-10-19-15-8-7-12(18)9-13(15)16(14)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyRMWGWZJSDYCSSG-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-chloro-4-phenylquinolin-3-yl)acetamide
CID 10424681
(6-chloro-4-phenylquinolin-3-yl) acetate
CID 174381522
methyl 6-chloro-2-ethyl-4-phenylquinoline-3-carboxylate
CID 139242418
methyl 4-amino-6-phenylquinoline-3-carboxylate
CID 102614814
N-(6-chloro-4-phenylquinolin-3-yl)-2-phenylacetamide
CID 54395072
1-(6-chloro-4-phenylquinolin-3-yl)-3-(2,4-dimethoxyphenyl)urea
CID 10071543
(6-chloro-4-phenylquinolin-3-yl)methanol
CID 21463132
methyl 3-phenylquinoline-5-carboxylate
CID 15789216
methyl 5-amino-3-chloroquinoline-6-carboxylate
CID 135277922
1-(6-chloro-4-phenylquinolin-3-yl)-3-(4-fluorophenyl)urea
CID 10453084
3,5-ditert-butyl-N-(6-chloro-4-phenylquinolin-3-yl)-4-hydroxybenzamide
CID 22403898
ethyl 6-chloro-4-(2-phenylhydrazinyl)quinoline-3-carboxylate
CID 17016638

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-4-phenylquinoline-3-carboxylate?
The IUPAC name of methyl 6-chloro-4-phenylquinoline-3-carboxylate (CID 10447368) is methyl 6-chloro-4-phenylquinoline-3-carboxylate.
What is the SMILES notation for methyl 6-chloro-4-phenylquinoline-3-carboxylate?
The canonical SMILES for methyl 6-chloro-4-phenylquinoline-3-carboxylate is COC(=O)c1cnc2ccc(Cl)cc2c1-c1ccccc1.
What is the InChIKey of methyl 6-chloro-4-phenylquinoline-3-carboxylate?
The InChIKey is RMWGWZJSDYCSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2/c1-21-17(20)14-10-19-15-8-7-12(18)9-13(15)16(14)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of methyl 6-chloro-4-phenylquinoline-3-carboxylate?
methyl 6-chloro-4-phenylquinoline-3-carboxylate has a molecular weight of 297.74 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-4-phenylquinoline-3-carboxylate is sourced from PubChem (CID 10447368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).