ethyl 6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylate

C15H14ClNO3 — CID 166439322

IUPACethyl 6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(C2CC2)c2ccc(Cl)cc2c1=O
InChIInChI=1S/C15H14ClNO3/c1-2-20-15(19)12-8-17(10-4-5-10)13-6-3-9(16)7-11(13)14(12)18/h3,6-8,10H,2,4-5H2,1H3
InChIKeyUIFCEMFUUUTALC-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.17
Rot. Bonds3

About ethyl 6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylate

ethyl 6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylate (PubChem CID 166439322) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is ethyl 6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylate
PubChem CID166439322
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Nameethyl 6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(C2CC2)c2ccc(Cl)cc2c1=O
InChIInChI=1S/C15H14ClNO3/c1-2-20-15(19)12-8-17(10-4-5-10)13-6-3-9(16)7-11(13)14(12)18/h3,6-8,10H,2,4-5H2,1H3
InChIKeyUIFCEMFUUUTALC-UHFFFAOYSA-N
XLogP3.17
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 8-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylate
CID 18333191
ethyl 1-cyclopropyl-6-fluoro-7-(3-hydroxyprop-1-en-2-yl)-4-oxoquinoline-3-carboxylate
CID 11724246
ethyl 6-chloro-4-oxo-1-prop-2-enylquinoline-3-carboxylate
CID 166001599
ethyl 6-amino-1-cyclopropyl-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylate
CID 10337378
2-ethoxyethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 154631855
ethyl 1-cyclopentyl-7-iodo-4-oxoquinoline-3-carboxylate
CID 19081667
ethyl 6-iodo-4-oxo-1-piperidin-3-ylquinoline-3-carboxylate
CID 59416049
ethyl 1-cyclopropyl-6-fluoro-7-[(E)-3-hydroxyprop-1-enyl]-4-oxoquinoline-3-carboxylate
CID 10065267
ethyl 7-[4-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 14515103
propyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 155405950
ethyl 8-bromo-1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 11046932
ethyl 1-cyclopropyl-5,6-dimethylidene-4-oxopyridine-3-carboxylate
CID 123582149

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylate (CID 166439322) is ethyl 6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylate is CCOC(=O)c1cn(C2CC2)c2ccc(Cl)cc2c1=O.
What is the InChIKey of ethyl 6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylate?
The InChIKey is UIFCEMFUUUTALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-2-20-15(19)12-8-17(10-4-5-10)13-6-3-9(16)7-11(13)14(12)18/h3,6-8,10H,2,4-5H2,1H3.
What are the key properties of ethyl 6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylate?
ethyl 6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylate has a molecular weight of 291.73 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 166439322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).