ethyl 6-chloro-7b-cyclohexyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxylate

C19H22ClNO3 — CID 15959187

IUPACethyl 6-chloro-7b-cyclohexyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxylate
SMILESCCOC(=O)C12CC1(C1CCCCC1)c1cc(Cl)ccc1NC2=O
InChIInChI=1S/C19H22ClNO3/c1-2-24-17(23)19-11-18(19,12-6-4-3-5-7-12)14-10-13(20)8-9-15(14)21-16(19)22/h8-10,12H,2-7,11H2,1H3,(H,21,22)
InChIKeyDVSDTEGCUCSBLW-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.06
Rot. Bonds3

About ethyl 6-chloro-7b-cyclohexyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxylate

ethyl 6-chloro-7b-cyclohexyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxylate (PubChem CID 15959187) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is ethyl 6-chloro-7b-cyclohexyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-7b-cyclohexyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxylate
PubChem CID15959187
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Nameethyl 6-chloro-7b-cyclohexyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxylate
SMILESCCOC(=O)C12CC1(C1CCCCC1)c1cc(Cl)ccc1NC2=O
InChIInChI=1S/C19H22ClNO3/c1-2-24-17(23)19-11-18(19,12-6-4-3-5-7-12)14-10-13(20)8-9-15(14)21-16(19)22/h8-10,12H,2-7,11H2,1H3,(H,21,22)
InChIKeyDVSDTEGCUCSBLW-UHFFFAOYSA-N
XLogP4.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethyl 6-chloro-7b-cyclohexyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxylate with MolForge

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Related Compounds

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1a-(azetidine-1-carbonyl)-7b-butyl-6-chloro-1,3-dihydrocyclopropa[c]quinolin-2-one
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ethyl 5-chloro-2-(prop-2-enoylamino)-1,3-dihydroindene-2-carboxylate
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(3S)-3-amino-5-chloro-3-(hydroxymethyl)-1H-indol-2-one
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6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one;N-propan-2-ylacetamide
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(3R)-5-chloro-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
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Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-7b-cyclohexyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxylate?
The IUPAC name of ethyl 6-chloro-7b-cyclohexyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxylate (CID 15959187) is ethyl 6-chloro-7b-cyclohexyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxylate.
What is the SMILES notation for ethyl 6-chloro-7b-cyclohexyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxylate?
The canonical SMILES for ethyl 6-chloro-7b-cyclohexyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxylate is CCOC(=O)C12CC1(C1CCCCC1)c1cc(Cl)ccc1NC2=O.
What is the InChIKey of ethyl 6-chloro-7b-cyclohexyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxylate?
The InChIKey is DVSDTEGCUCSBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-2-24-17(23)19-11-18(19,12-6-4-3-5-7-12)14-10-13(20)8-9-15(14)21-16(19)22/h8-10,12H,2-7,11H2,1H3,(H,21,22).
What are the key properties of ethyl 6-chloro-7b-cyclohexyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxylate?
ethyl 6-chloro-7b-cyclohexyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxylate has a molecular weight of 347.84 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-7b-cyclohexyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxylate is sourced from PubChem (CID 15959187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).