ethyl 8,9-dichloro-1-cyclopropyl-7-fluoro-4-oxoquinolizine-3-carboxylate

C15H12Cl2FNO3 — CID 10617388

IUPACethyl 8,9-dichloro-1-cyclopropyl-7-fluoro-4-oxoquinolizine-3-carboxylate
SMILESCCOC(=O)c1cc(C2CC2)c2c(Cl)c(Cl)c(F)cn2c1=O
InChIInChI=1S/C15H12Cl2FNO3/c1-2-22-15(21)9-5-8(7-3-4-7)13-12(17)11(16)10(18)6-19(13)14(9)20/h5-7H,2-4H2,1H3
InChIKeyHTSUMKGDNMVCAO-UHFFFAOYSA-N
MW344.17 g/mol
LogP3.80
Rot. Bonds3

About ethyl 8,9-dichloro-1-cyclopropyl-7-fluoro-4-oxoquinolizine-3-carboxylate

ethyl 8,9-dichloro-1-cyclopropyl-7-fluoro-4-oxoquinolizine-3-carboxylate (PubChem CID 10617388) has the molecular formula C15H12Cl2FNO3 and a molecular weight of 344.17 g/mol. Its IUPAC name is ethyl 8,9-dichloro-1-cyclopropyl-7-fluoro-4-oxoquinolizine-3-carboxylate.

Molecular Properties

Compound Nameethyl 8,9-dichloro-1-cyclopropyl-7-fluoro-4-oxoquinolizine-3-carboxylate
PubChem CID10617388
Molecular FormulaC15H12Cl2FNO3
Molecular Weight344.17 g/mol
Exact Mass343.02
IUPAC Nameethyl 8,9-dichloro-1-cyclopropyl-7-fluoro-4-oxoquinolizine-3-carboxylate
SMILESCCOC(=O)c1cc(C2CC2)c2c(Cl)c(Cl)c(F)cn2c1=O
InChIInChI=1S/C15H12Cl2FNO3/c1-2-22-15(21)9-5-8(7-3-4-7)13-12(17)11(16)10(18)6-19(13)14(9)20/h5-7H,2-4H2,1H3
InChIKeyHTSUMKGDNMVCAO-UHFFFAOYSA-N
XLogP3.80
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 8-chloro-1-cyclopentyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylate
CID 56620700
ethyl 1-cyclopropyl-7-fluoro-8-imidazol-1-yl-9-methyl-4-oxoquinolizine-3-carboxylate
CID 10689540
ethyl 8-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylate
CID 10693062
ethyl 1-cyclopropyl-7-fluoro-9-methyl-8-[(3R,4S)-3-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylate
CID 10505595
ethyl 1-cyclopropyl-7-fluoro-9-methyl-8-[(3S,4R)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylate
CID 10743589
ethyl 8-chloro-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylate
CID 56608591
ethyl 1-cyclopropyl-8-[3-(1,3-dioxoisoindol-2-yl)oxypyrrolidin-1-yl]-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylate
CID 76825854
ethyl 1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-(6-trityl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)quinolizine-3-carboxylate
CID 139917083
ethyl 1-cyclopropyl-7-fluoro-8-[3-(fluoromethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-9-methyl-4-oxoquinolizine-3-carboxylate
CID 56630490
ethyl 2-cyclopropyl-4-fluorobenzoate
CID 150607366
ethyl 2,3,4-trichloro-5-fluorobenzoate
CID 81445840
ethyl 1-cyclopropyl-7,8-difluoro-9-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-2-yl]prop-1-ynyl]-4-oxoquinolizine-3-carboxylate
CID 123433111

Frequently Asked Questions

What is the IUPAC name of ethyl 8,9-dichloro-1-cyclopropyl-7-fluoro-4-oxoquinolizine-3-carboxylate?
The IUPAC name of ethyl 8,9-dichloro-1-cyclopropyl-7-fluoro-4-oxoquinolizine-3-carboxylate (CID 10617388) is ethyl 8,9-dichloro-1-cyclopropyl-7-fluoro-4-oxoquinolizine-3-carboxylate.
What is the SMILES notation for ethyl 8,9-dichloro-1-cyclopropyl-7-fluoro-4-oxoquinolizine-3-carboxylate?
The canonical SMILES for ethyl 8,9-dichloro-1-cyclopropyl-7-fluoro-4-oxoquinolizine-3-carboxylate is CCOC(=O)c1cc(C2CC2)c2c(Cl)c(Cl)c(F)cn2c1=O.
What is the InChIKey of ethyl 8,9-dichloro-1-cyclopropyl-7-fluoro-4-oxoquinolizine-3-carboxylate?
The InChIKey is HTSUMKGDNMVCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FNO3/c1-2-22-15(21)9-5-8(7-3-4-7)13-12(17)11(16)10(18)6-19(13)14(9)20/h5-7H,2-4H2,1H3.
What are the key properties of ethyl 8,9-dichloro-1-cyclopropyl-7-fluoro-4-oxoquinolizine-3-carboxylate?
ethyl 8,9-dichloro-1-cyclopropyl-7-fluoro-4-oxoquinolizine-3-carboxylate has a molecular weight of 344.17 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8,9-dichloro-1-cyclopropyl-7-fluoro-4-oxoquinolizine-3-carboxylate is sourced from PubChem (CID 10617388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).