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

C21H20ClNO4 — CID 130248127

IUPAC[6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] ethyl carbonate
SMILESCCOC(=O)Oc1c(-c2ccccc2C)c(C)nc2cc(OC)c(Cl)cc12
InChIInChI=1S/C21H20ClNO4/c1-5-26-21(24)27-20-15-10-16(22)18(25-4)11-17(15)23-13(3)19(20)14-9-7-6-8-12(14)2/h6-11H,5H2,1-4H3
InChIKeyPLXHGTPDZKYGKW-UHFFFAOYSA-N
MW385.85 g/mol
LogP5.72
Rot. Bonds4

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

[6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] ethyl carbonate (PubChem CID 130248127) has the molecular formula C21H20ClNO4 and a molecular weight of 385.85 g/mol. Its IUPAC name is [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] ethyl carbonate.

Molecular Properties

Compound Name[6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] ethyl carbonate
PubChem CID130248127
Molecular FormulaC21H20ClNO4
Molecular Weight385.85 g/mol
Exact Mass385.11
IUPAC Name[6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] ethyl carbonate
SMILESCCOC(=O)Oc1c(-c2ccccc2C)c(C)nc2cc(OC)c(Cl)cc12
InChIInChI=1S/C21H20ClNO4/c1-5-26-21(24)27-20-15-10-16(22)18(25-4)11-17(15)23-13(3)19(20)14-9-7-6-8-12(14)2/h6-11H,5H2,1-4H3
InChIKeyPLXHGTPDZKYGKW-UHFFFAOYSA-N
XLogP5.72
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.85
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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] ethyl carbonate?
The IUPAC name of [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] ethyl carbonate (CID 130248127) is [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] ethyl carbonate.
What is the SMILES notation for [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] ethyl carbonate?
The canonical SMILES for [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] ethyl carbonate is CCOC(=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] ethyl carbonate?
The InChIKey is PLXHGTPDZKYGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO4/c1-5-26-21(24)27-20-15-10-16(22)18(25-4)11-17(15)23-13(3)19(20)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] ethyl carbonate?
[6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] ethyl carbonate has a molecular weight of 385.85 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] ethyl carbonate is sourced from PubChem (CID 130248127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).