[6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] propanoate

C21H20ClNO3 — CID 130247111

IUPAC[6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] propanoate
SMILESCCC(=O)Oc1c(-c2ccccc2C)c(C)nc2cc(OC)c(Cl)cc12
InChIInChI=1S/C21H20ClNO3/c1-5-19(24)26-21-15-10-16(22)18(25-4)11-17(15)23-13(3)20(21)14-9-7-6-8-12(14)2/h6-11H,5H2,1-4H3
InChIKeyZNSBQLAHCLYNFM-UHFFFAOYSA-N
MW369.85 g/mol
LogP5.50
Rot. Bonds4

About [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] propanoate

[6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] propanoate (PubChem CID 130247111) has the molecular formula C21H20ClNO3 and a molecular weight of 369.85 g/mol. Its IUPAC name is [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] propanoate.

Molecular Properties

Compound Name[6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] propanoate
PubChem CID130247111
Molecular FormulaC21H20ClNO3
Molecular Weight369.85 g/mol
Exact Mass369.11
IUPAC Name[6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] propanoate
SMILESCCC(=O)Oc1c(-c2ccccc2C)c(C)nc2cc(OC)c(Cl)cc12
InChIInChI=1S/C21H20ClNO3/c1-5-19(24)26-21-15-10-16(22)18(25-4)11-17(15)23-13(3)20(21)14-9-7-6-8-12(14)2/h6-11H,5H2,1-4H3
InChIKeyZNSBQLAHCLYNFM-UHFFFAOYSA-N
XLogP5.50
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.85
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] propanoate?
The IUPAC name of [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] propanoate (CID 130247111) is [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] propanoate.
What is the SMILES notation for [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] propanoate?
The canonical SMILES for [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] propanoate is CCC(=O)Oc1c(-c2ccccc2C)c(C)nc2cc(OC)c(Cl)cc12.
What is the InChIKey of [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] propanoate?
The InChIKey is ZNSBQLAHCLYNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO3/c1-5-19(24)26-21-15-10-16(22)18(25-4)11-17(15)23-13(3)20(21)14-9-7-6-8-12(14)2/h6-11H,5H2,1-4H3.
What are the key properties of [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] propanoate?
[6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] propanoate has a molecular weight of 369.85 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] propanoate is sourced from PubChem (CID 130247111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).