(4-cyanophenyl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate

C25H18N2O2 — CID 4602082

IUPAC(4-cyanophenyl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate
SMILESCc1ccc(-c2cc(C(=O)OCc3ccc(C#N)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C25H18N2O2/c1-17-6-12-20(13-7-17)24-14-22(21-4-2-3-5-23(21)27-24)25(28)29-16-19-10-8-18(15-26)9-11-19/h2-14H,16H2,1H3
InChIKeyMKRWFDXXPMUVBE-UHFFFAOYSA-N
MW378.43 g/mol
LogP5.44
Rot. Bonds4

About (4-cyanophenyl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate

(4-cyanophenyl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate (PubChem CID 4602082) has the molecular formula C25H18N2O2 and a molecular weight of 378.43 g/mol. Its IUPAC name is (4-cyanophenyl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name(4-cyanophenyl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate
PubChem CID4602082
Molecular FormulaC25H18N2O2
Molecular Weight378.43 g/mol
Exact Mass378.14
IUPAC Name(4-cyanophenyl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate
SMILESCc1ccc(-c2cc(C(=O)OCc3ccc(C#N)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C25H18N2O2/c1-17-6-12-20(13-7-17)24-14-22(21-4-2-3-5-23(21)27-24)25(28)29-16-19-10-8-18(15-26)9-11-19/h2-14H,16H2,1H3
InChIKeyMKRWFDXXPMUVBE-UHFFFAOYSA-N
XLogP5.44
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-cyanophenyl)methyl 2-(4-methylphenyl)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

(4-cyanophenyl)methyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 5179885
(4-methoxycarbonylphenyl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3995735
(4-methoxycarbonylphenyl)methyl 2-phenylquinoline-4-carboxylate
CID 7866939
(4-tert-butylphenyl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 4317216
prop-2-ynyl 2-(4-methylphenyl)quinoline-4-carboxylate
CID 91689203
(3,4-dichlorophenyl)methyl 2-(4-ethylphenyl)quinoline-4-carboxylate
CID 126188190
(4-bromophenyl)methyl 2-pyridin-4-ylquinoline-4-carboxylate
CID 2404179
benzyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 2366983
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 5076248
benzyl 2-methylquinoline-4-carboxylate
CID 804130
2-oxopropyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3948184
(2-methoxy-5-methylphenyl)methyl 2-phenylquinoline-4-carboxylate
CID 7603582

Frequently Asked Questions

What is the IUPAC name of (4-cyanophenyl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate?
The IUPAC name of (4-cyanophenyl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate (CID 4602082) is (4-cyanophenyl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate.
What is the SMILES notation for (4-cyanophenyl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate?
The canonical SMILES for (4-cyanophenyl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate is Cc1ccc(-c2cc(C(=O)OCc3ccc(C#N)cc3)c3ccccc3n2)cc1.
What is the InChIKey of (4-cyanophenyl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate?
The InChIKey is MKRWFDXXPMUVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O2/c1-17-6-12-20(13-7-17)24-14-22(21-4-2-3-5-23(21)27-24)25(28)29-16-19-10-8-18(15-26)9-11-19/h2-14H,16H2,1H3.
What are the key properties of (4-cyanophenyl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate?
(4-cyanophenyl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate has a molecular weight of 378.43 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanophenyl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 4602082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).