(2-chloro-7,8-dimethylquinolin-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate

C24H19ClN2O2 — CID 16608148

IUPAC(2-chloro-7,8-dimethylquinolin-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate
SMILESCc1ccc2cc(COC(=O)/C=C/c3cccc4cccnc34)c(Cl)nc2c1C
InChIInChI=1S/C24H19ClN2O2/c1-15-8-9-19-13-20(24(25)27-22(19)16(15)2)14-29-21(28)11-10-18-6-3-5-17-7-4-12-26-23(17)18/h3-13H,14H2,1-2H3/b11-10+
InChIKeyRLNQOXPPTYTNGA-ZHACJKMWSA-N
MW402.88 g/mol
LogP5.81
Rot. Bonds4

About (2-chloro-7,8-dimethylquinolin-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate

(2-chloro-7,8-dimethylquinolin-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate (PubChem CID 16608148) has the molecular formula C24H19ClN2O2 and a molecular weight of 402.88 g/mol. Its IUPAC name is (2-chloro-7,8-dimethylquinolin-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate.

Molecular Properties

Compound Name(2-chloro-7,8-dimethylquinolin-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate
PubChem CID16608148
Molecular FormulaC24H19ClN2O2
Molecular Weight402.88 g/mol
Exact Mass402.11
IUPAC Name(2-chloro-7,8-dimethylquinolin-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate
SMILESCc1ccc2cc(COC(=O)/C=C/c3cccc4cccnc34)c(Cl)nc2c1C
InChIInChI=1S/C24H19ClN2O2/c1-15-8-9-19-13-20(24(25)27-22(19)16(15)2)14-29-21(28)11-10-18-6-3-5-17-7-4-12-26-23(17)18/h3-13H,14H2,1-2H3/b11-10+
InChIKeyRLNQOXPPTYTNGA-ZHACJKMWSA-N
XLogP5.81
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.88
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2-chloro-7,8-dimethylquinolin-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate 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-[2-(2,5-dimethylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl (E)-3-quinolin-8-ylprop-2-enoate
CID 55506981
(3-oxobenzo[f]chromen-1-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate
CID 55506352
[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16617876
2-(3-chlorophenoxy)ethyl (E)-3-quinolin-8-ylprop-2-enoate
CID 16617759
(3,3-dimethyl-2-oxobutyl) (E)-3-quinolin-8-ylprop-2-enoate
CID 16607648
[2-oxo-2-(2,3,5,6-tetrachloroanilino)ethyl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16607830
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16607705
(3-chloro-1-benzothiophen-2-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate
CID 18286779
(7-hydroxy-2-oxochromen-4-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate
CID 16617786
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-quinolin-8-ylprop-2-enoate
CID 16608171
cyanomethyl (E)-3-quinolin-8-ylprop-2-enoate
CID 16607642
(5-phenyl-1,2-oxazol-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate
CID 16608229

Frequently Asked Questions

What is the IUPAC name of (2-chloro-7,8-dimethylquinolin-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate?
The IUPAC name of (2-chloro-7,8-dimethylquinolin-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate (CID 16608148) is (2-chloro-7,8-dimethylquinolin-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate.
What is the SMILES notation for (2-chloro-7,8-dimethylquinolin-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate?
The canonical SMILES for (2-chloro-7,8-dimethylquinolin-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate is Cc1ccc2cc(COC(=O)/C=C/c3cccc4cccnc34)c(Cl)nc2c1C.
What is the InChIKey of (2-chloro-7,8-dimethylquinolin-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate?
The InChIKey is RLNQOXPPTYTNGA-ZHACJKMWSA-N. The full InChI is InChI=1S/C24H19ClN2O2/c1-15-8-9-19-13-20(24(25)27-22(19)16(15)2)14-29-21(28)11-10-18-6-3-5-17-7-4-12-26-23(17)18/h3-13H,14H2,1-2H3/b11-10+.
What are the key properties of (2-chloro-7,8-dimethylquinolin-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate?
(2-chloro-7,8-dimethylquinolin-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate has a molecular weight of 402.88 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-7,8-dimethylquinolin-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate is sourced from PubChem (CID 16608148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).