(2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate

C24H17ClFNO3 — CID 2433435

IUPAC(2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)OCc3c(F)cccc3Cl)c3ccccc3n2)cc1
InChIInChI=1S/C24H17ClFNO3/c1-29-16-11-9-15(10-12-16)23-13-18(17-5-2-3-8-22(17)27-23)24(28)30-14-19-20(25)6-4-7-21(19)26/h2-13H,14H2,1H3
InChIKeyLAJHNMZWLYZCIU-UHFFFAOYSA-N
MW421.86 g/mol
LogP6.06
Rot. Bonds5

About (2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate

(2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate (PubChem CID 2433435) has the molecular formula C24H17ClFNO3 and a molecular weight of 421.86 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate
PubChem CID2433435
Molecular FormulaC24H17ClFNO3
Molecular Weight421.86 g/mol
Exact Mass421.09
IUPAC Name(2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)OCc3c(F)cccc3Cl)c3ccccc3n2)cc1
InChIInChI=1S/C24H17ClFNO3/c1-29-16-11-9-15(10-12-16)23-13-18(17-5-2-3-8-22(17)27-23)24(28)30-14-19-20(25)6-4-7-21(19)26/h2-13H,14H2,1H3
InChIKeyLAJHNMZWLYZCIU-UHFFFAOYSA-N
XLogP6.06
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.86
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,6-dichlorophenyl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 2434662
(2-fluorophenyl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 7701146
(2-fluorophenyl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 23940568
(1,3-dioxoisoindol-2-yl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 3995966
(2,6-dichlorophenyl)methyl 2-methylquinoline-4-carboxylate
CID 2432200
naphthalen-1-ylmethyl 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 3964201
(2-chloro-6-fluorophenyl)methyl naphthalene-1-carboxylate
CID 954125
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2647320
(3,4-dichlorophenyl)methyl 2-(4-ethylphenyl)quinoline-4-carboxylate
CID 126188190
[2-(benzylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2335668
[2-(azepan-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2479385
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate (CID 2433435) is (2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate is COc1ccc(-c2cc(C(=O)OCc3c(F)cccc3Cl)c3ccccc3n2)cc1.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The InChIKey is LAJHNMZWLYZCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFNO3/c1-29-16-11-9-15(10-12-16)23-13-18(17-5-2-3-8-22(17)27-23)24(28)30-14-19-20(25)6-4-7-21(19)26/h2-13H,14H2,1H3.
What are the key properties of (2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate?
(2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate has a molecular weight of 421.86 g/mol, XLogP of 6.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 2433435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).