methyl 3-[cyclopentyl(methyl)amino]-2-(4-fluorophenyl)quinoline-6-carboxylate

C23H23FN2O2 — CID 141344743

IUPACmethyl 3-[cyclopentyl(methyl)amino]-2-(4-fluorophenyl)quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(F)cc3)c(N(C)C3CCCC3)cc2c1
InChIInChI=1S/C23H23FN2O2/c1-26(19-5-3-4-6-19)21-14-17-13-16(23(27)28-2)9-12-20(17)25-22(21)15-7-10-18(24)11-8-15/h7-14,19H,3-6H2,1-2H3
InChIKeyQCMZEGDIKPQTMB-UHFFFAOYSA-N
MW378.45 g/mol
LogP5.21
Rot. Bonds4

About methyl 3-[cyclopentyl(methyl)amino]-2-(4-fluorophenyl)quinoline-6-carboxylate

methyl 3-[cyclopentyl(methyl)amino]-2-(4-fluorophenyl)quinoline-6-carboxylate (PubChem CID 141344743) has the molecular formula C23H23FN2O2 and a molecular weight of 378.45 g/mol. Its IUPAC name is methyl 3-[cyclopentyl(methyl)amino]-2-(4-fluorophenyl)quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[cyclopentyl(methyl)amino]-2-(4-fluorophenyl)quinoline-6-carboxylate
PubChem CID141344743
Molecular FormulaC23H23FN2O2
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC Namemethyl 3-[cyclopentyl(methyl)amino]-2-(4-fluorophenyl)quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(F)cc3)c(N(C)C3CCCC3)cc2c1
InChIInChI=1S/C23H23FN2O2/c1-26(19-5-3-4-6-19)21-14-17-13-16(23(27)28-2)9-12-20(17)25-22(21)15-7-10-18(24)11-8-15/h7-14,19H,3-6H2,1-2H3
InChIKeyQCMZEGDIKPQTMB-UHFFFAOYSA-N
XLogP5.21
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.45
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[cyclopentyl(methyl)amino]-2-(4-fluorophenyl)quinoline-6-carboxylate?
The IUPAC name of methyl 3-[cyclopentyl(methyl)amino]-2-(4-fluorophenyl)quinoline-6-carboxylate (CID 141344743) is methyl 3-[cyclopentyl(methyl)amino]-2-(4-fluorophenyl)quinoline-6-carboxylate.
What is the SMILES notation for methyl 3-[cyclopentyl(methyl)amino]-2-(4-fluorophenyl)quinoline-6-carboxylate?
The canonical SMILES for methyl 3-[cyclopentyl(methyl)amino]-2-(4-fluorophenyl)quinoline-6-carboxylate is COC(=O)c1ccc2nc(-c3ccc(F)cc3)c(N(C)C3CCCC3)cc2c1.
What is the InChIKey of methyl 3-[cyclopentyl(methyl)amino]-2-(4-fluorophenyl)quinoline-6-carboxylate?
The InChIKey is QCMZEGDIKPQTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2/c1-26(19-5-3-4-6-19)21-14-17-13-16(23(27)28-2)9-12-20(17)25-22(21)15-7-10-18(24)11-8-15/h7-14,19H,3-6H2,1-2H3.
What are the key properties of methyl 3-[cyclopentyl(methyl)amino]-2-(4-fluorophenyl)quinoline-6-carboxylate?
methyl 3-[cyclopentyl(methyl)amino]-2-(4-fluorophenyl)quinoline-6-carboxylate has a molecular weight of 378.45 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[cyclopentyl(methyl)amino]-2-(4-fluorophenyl)quinoline-6-carboxylate is sourced from PubChem (CID 141344743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).