(5,7-dichloro-2-methylquinolin-8-yl) cyclopropanecarboxylate

C14H11Cl2NO2 — CID 2084634

IUPAC(5,7-dichloro-2-methylquinolin-8-yl) cyclopropanecarboxylate
SMILESCc1ccc2c(Cl)cc(Cl)c(OC(=O)C3CC3)c2n1
InChIInChI=1S/C14H11Cl2NO2/c1-7-2-5-9-10(15)6-11(16)13(12(9)17-7)19-14(18)8-3-4-8/h2,5-6,8H,3-4H2,1H3
InChIKeyJIVPTFKVQREBNL-UHFFFAOYSA-N
MW296.15 g/mol
LogP4.17
Rot. Bonds2

About (5,7-dichloro-2-methylquinolin-8-yl) cyclopropanecarboxylate

(5,7-dichloro-2-methylquinolin-8-yl) cyclopropanecarboxylate (PubChem CID 2084634) has the molecular formula C14H11Cl2NO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is (5,7-dichloro-2-methylquinolin-8-yl) cyclopropanecarboxylate.

Molecular Properties

Compound Name(5,7-dichloro-2-methylquinolin-8-yl) cyclopropanecarboxylate
PubChem CID2084634
Molecular FormulaC14H11Cl2NO2
Molecular Weight296.15 g/mol
Exact Mass295.02
IUPAC Name(5,7-dichloro-2-methylquinolin-8-yl) cyclopropanecarboxylate
SMILESCc1ccc2c(Cl)cc(Cl)c(OC(=O)C3CC3)c2n1
InChIInChI=1S/C14H11Cl2NO2/c1-7-2-5-9-10(15)6-11(16)13(12(9)17-7)19-14(18)8-3-4-8/h2,5-6,8H,3-4H2,1H3
InChIKeyJIVPTFKVQREBNL-UHFFFAOYSA-N
XLogP4.17
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (5,7-dichloro-2-methylquinolin-8-yl) cyclopropanecarboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5,7-dichloro-2-methylquinolin-8-yl) cyclopropanecarboxylate?
The IUPAC name of (5,7-dichloro-2-methylquinolin-8-yl) cyclopropanecarboxylate (CID 2084634) is (5,7-dichloro-2-methylquinolin-8-yl) cyclopropanecarboxylate.
What is the SMILES notation for (5,7-dichloro-2-methylquinolin-8-yl) cyclopropanecarboxylate?
The canonical SMILES for (5,7-dichloro-2-methylquinolin-8-yl) cyclopropanecarboxylate is Cc1ccc2c(Cl)cc(Cl)c(OC(=O)C3CC3)c2n1.
What is the InChIKey of (5,7-dichloro-2-methylquinolin-8-yl) cyclopropanecarboxylate?
The InChIKey is JIVPTFKVQREBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO2/c1-7-2-5-9-10(15)6-11(16)13(12(9)17-7)19-14(18)8-3-4-8/h2,5-6,8H,3-4H2,1H3.
What are the key properties of (5,7-dichloro-2-methylquinolin-8-yl) cyclopropanecarboxylate?
(5,7-dichloro-2-methylquinolin-8-yl) cyclopropanecarboxylate has a molecular weight of 296.15 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dichloro-2-methylquinolin-8-yl) cyclopropanecarboxylate is sourced from PubChem (CID 2084634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).