methyl 6-chloro-2-(2-phenylethyl)quinoline-4-carboxylate

C19H16ClNO2 — CID 53248914

IUPACmethyl 6-chloro-2-(2-phenylethyl)quinoline-4-carboxylate
SMILESCOC(=O)c1cc(CCc2ccccc2)nc2ccc(Cl)cc12
InChIInChI=1S/C19H16ClNO2/c1-23-19(22)17-12-15(9-7-13-5-3-2-4-6-13)21-18-10-8-14(20)11-16(17)18/h2-6,8,10-12H,7,9H2,1H3
InChIKeyWJKVHXSDPAYRCK-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.46
Rot. Bonds4

About methyl 6-chloro-2-(2-phenylethyl)quinoline-4-carboxylate

methyl 6-chloro-2-(2-phenylethyl)quinoline-4-carboxylate (PubChem CID 53248914) has the molecular formula C19H16ClNO2 and a molecular weight of 325.80 g/mol. Its IUPAC name is methyl 6-chloro-2-(2-phenylethyl)quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-2-(2-phenylethyl)quinoline-4-carboxylate
PubChem CID53248914
Molecular FormulaC19H16ClNO2
Molecular Weight325.80 g/mol
Exact Mass325.09
IUPAC Namemethyl 6-chloro-2-(2-phenylethyl)quinoline-4-carboxylate
SMILESCOC(=O)c1cc(CCc2ccccc2)nc2ccc(Cl)cc12
InChIInChI=1S/C19H16ClNO2/c1-23-19(22)17-12-15(9-7-13-5-3-2-4-6-13)21-18-10-8-14(20)11-16(17)18/h2-6,8,10-12H,7,9H2,1H3
InChIKeyWJKVHXSDPAYRCK-UHFFFAOYSA-N
XLogP4.46
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-2-(2-phenylethyl)quinoline-4-carboxylate?
The IUPAC name of methyl 6-chloro-2-(2-phenylethyl)quinoline-4-carboxylate (CID 53248914) is methyl 6-chloro-2-(2-phenylethyl)quinoline-4-carboxylate.
What is the SMILES notation for methyl 6-chloro-2-(2-phenylethyl)quinoline-4-carboxylate?
The canonical SMILES for methyl 6-chloro-2-(2-phenylethyl)quinoline-4-carboxylate is COC(=O)c1cc(CCc2ccccc2)nc2ccc(Cl)cc12.
What is the InChIKey of methyl 6-chloro-2-(2-phenylethyl)quinoline-4-carboxylate?
The InChIKey is WJKVHXSDPAYRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO2/c1-23-19(22)17-12-15(9-7-13-5-3-2-4-6-13)21-18-10-8-14(20)11-16(17)18/h2-6,8,10-12H,7,9H2,1H3.
What are the key properties of methyl 6-chloro-2-(2-phenylethyl)quinoline-4-carboxylate?
methyl 6-chloro-2-(2-phenylethyl)quinoline-4-carboxylate has a molecular weight of 325.80 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-2-(2-phenylethyl)quinoline-4-carboxylate is sourced from PubChem (CID 53248914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).