ethyl 6-chloro-7b-methyl-2-phenyl-1,1a-dihydrocyclopropa[c]quinoline-1-carboxylate

C20H18ClNO2 — CID 122209874

IUPACethyl 6-chloro-7b-methyl-2-phenyl-1,1a-dihydrocyclopropa[c]quinoline-1-carboxylate
SMILESCCOC(=O)C1C2C(c3ccccc3)=Nc3ccc(Cl)cc3C12C
InChIInChI=1S/C20H18ClNO2/c1-3-24-19(23)17-16-18(12-7-5-4-6-8-12)22-15-10-9-13(21)11-14(15)20(16,17)2/h4-11,16-17H,3H2,1-2H3
InChIKeyBFBVHFDONMKFPV-UHFFFAOYSA-N
MW339.82 g/mol
LogP4.54
Rot. Bonds3

About ethyl 6-chloro-7b-methyl-2-phenyl-1,1a-dihydrocyclopropa[c]quinoline-1-carboxylate

ethyl 6-chloro-7b-methyl-2-phenyl-1,1a-dihydrocyclopropa[c]quinoline-1-carboxylate (PubChem CID 122209874) has the molecular formula C20H18ClNO2 and a molecular weight of 339.82 g/mol. Its IUPAC name is ethyl 6-chloro-7b-methyl-2-phenyl-1,1a-dihydrocyclopropa[c]quinoline-1-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-7b-methyl-2-phenyl-1,1a-dihydrocyclopropa[c]quinoline-1-carboxylate
PubChem CID122209874
Molecular FormulaC20H18ClNO2
Molecular Weight339.82 g/mol
Exact Mass339.10
IUPAC Nameethyl 6-chloro-7b-methyl-2-phenyl-1,1a-dihydrocyclopropa[c]quinoline-1-carboxylate
SMILESCCOC(=O)C1C2C(c3ccccc3)=Nc3ccc(Cl)cc3C12C
InChIInChI=1S/C20H18ClNO2/c1-3-24-19(23)17-16-18(12-7-5-4-6-8-12)22-15-10-9-13(21)11-14(15)20(16,17)2/h4-11,16-17H,3H2,1-2H3
InChIKeyBFBVHFDONMKFPV-UHFFFAOYSA-N
XLogP4.54
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 6-chloro-7b-methyl-2-phenyl-1,1a-dihydrocyclopropa[c]quinoline-1-carboxylate 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 ethyl 6-chloro-7b-methyl-2-phenyl-1,1a-dihydrocyclopropa[c]quinoline-1-carboxylate?
The IUPAC name of ethyl 6-chloro-7b-methyl-2-phenyl-1,1a-dihydrocyclopropa[c]quinoline-1-carboxylate (CID 122209874) is ethyl 6-chloro-7b-methyl-2-phenyl-1,1a-dihydrocyclopropa[c]quinoline-1-carboxylate.
What is the SMILES notation for ethyl 6-chloro-7b-methyl-2-phenyl-1,1a-dihydrocyclopropa[c]quinoline-1-carboxylate?
The canonical SMILES for ethyl 6-chloro-7b-methyl-2-phenyl-1,1a-dihydrocyclopropa[c]quinoline-1-carboxylate is CCOC(=O)C1C2C(c3ccccc3)=Nc3ccc(Cl)cc3C12C.
What is the InChIKey of ethyl 6-chloro-7b-methyl-2-phenyl-1,1a-dihydrocyclopropa[c]quinoline-1-carboxylate?
The InChIKey is BFBVHFDONMKFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2/c1-3-24-19(23)17-16-18(12-7-5-4-6-8-12)22-15-10-9-13(21)11-14(15)20(16,17)2/h4-11,16-17H,3H2,1-2H3.
What are the key properties of ethyl 6-chloro-7b-methyl-2-phenyl-1,1a-dihydrocyclopropa[c]quinoline-1-carboxylate?
ethyl 6-chloro-7b-methyl-2-phenyl-1,1a-dihydrocyclopropa[c]quinoline-1-carboxylate has a molecular weight of 339.82 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-7b-methyl-2-phenyl-1,1a-dihydrocyclopropa[c]quinoline-1-carboxylate is sourced from PubChem (CID 122209874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).