[6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] pyrrolidine-1-carboxylate

C23H23ClN2O3 — CID 130248129

IUPAC[6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] pyrrolidine-1-carboxylate
SMILESCOc1cc2nc(C)c(-c3ccccc3C)c(OC(=O)N3CCCC3)c2cc1Cl
InChIInChI=1S/C23H23ClN2O3/c1-14-8-4-5-9-16(14)21-15(2)25-19-13-20(28-3)18(24)12-17(19)22(21)29-23(27)26-10-6-7-11-26/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3
InChIKeyPWWVCDGGKCSQOG-UHFFFAOYSA-N
MW410.90 g/mol
LogP5.78
Rot. Bonds3

About [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] pyrrolidine-1-carboxylate

[6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] pyrrolidine-1-carboxylate (PubChem CID 130248129) has the molecular formula C23H23ClN2O3 and a molecular weight of 410.90 g/mol. Its IUPAC name is [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name[6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] pyrrolidine-1-carboxylate
PubChem CID130248129
Molecular FormulaC23H23ClN2O3
Molecular Weight410.90 g/mol
Exact Mass410.14
IUPAC Name[6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] pyrrolidine-1-carboxylate
SMILESCOc1cc2nc(C)c(-c3ccccc3C)c(OC(=O)N3CCCC3)c2cc1Cl
InChIInChI=1S/C23H23ClN2O3/c1-14-8-4-5-9-16(14)21-15(2)25-19-13-20(28-3)18(24)12-17(19)22(21)29-23(27)26-10-6-7-11-26/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3
InChIKeyPWWVCDGGKCSQOG-UHFFFAOYSA-N
XLogP5.78
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.90
LogP ≤ 55.78
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] pyrrolidine-1-carboxylate?
The IUPAC name of [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] pyrrolidine-1-carboxylate (CID 130248129) is [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] pyrrolidine-1-carboxylate.
What is the SMILES notation for [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] pyrrolidine-1-carboxylate?
The canonical SMILES for [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] pyrrolidine-1-carboxylate is COc1cc2nc(C)c(-c3ccccc3C)c(OC(=O)N3CCCC3)c2cc1Cl.
What is the InChIKey of [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] pyrrolidine-1-carboxylate?
The InChIKey is PWWVCDGGKCSQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3/c1-14-8-4-5-9-16(14)21-15(2)25-19-13-20(28-3)18(24)12-17(19)22(21)29-23(27)26-10-6-7-11-26/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3.
What are the key properties of [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] pyrrolidine-1-carboxylate?
[6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] pyrrolidine-1-carboxylate has a molecular weight of 410.90 g/mol, XLogP of 5.78, 3 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] pyrrolidine-1-carboxylate is sourced from PubChem (CID 130248129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).