ethyl 8-chloro-1-cyclopentyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylate

C18H19ClFNO3 — CID 56620700

IUPACethyl 8-chloro-1-cyclopentyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylate
SMILESCCOC(=O)c1cc(C2CCCC2)c2c(C)c(Cl)c(F)cn2c1=O
InChIInChI=1S/C18H19ClFNO3/c1-3-24-18(23)13-8-12(11-6-4-5-7-11)16-10(2)15(19)14(20)9-21(16)17(13)22/h8-9,11H,3-7H2,1-2H3
InChIKeyWQSXOMBVYSMNNN-UHFFFAOYSA-N
MW351.81 g/mol
LogP4.23
Rot. Bonds3

About ethyl 8-chloro-1-cyclopentyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylate

ethyl 8-chloro-1-cyclopentyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylate (PubChem CID 56620700) has the molecular formula C18H19ClFNO3 and a molecular weight of 351.81 g/mol. Its IUPAC name is ethyl 8-chloro-1-cyclopentyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-chloro-1-cyclopentyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylate
PubChem CID56620700
Molecular FormulaC18H19ClFNO3
Molecular Weight351.81 g/mol
Exact Mass351.10
IUPAC Nameethyl 8-chloro-1-cyclopentyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylate
SMILESCCOC(=O)c1cc(C2CCCC2)c2c(C)c(Cl)c(F)cn2c1=O
InChIInChI=1S/C18H19ClFNO3/c1-3-24-18(23)13-8-12(11-6-4-5-7-11)16-10(2)15(19)14(20)9-21(16)17(13)22/h8-9,11H,3-7H2,1-2H3
InChIKeyWQSXOMBVYSMNNN-UHFFFAOYSA-N
XLogP4.23
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.81
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 8,9-dichloro-1-cyclopropyl-7-fluoro-4-oxoquinolizine-3-carboxylate
CID 10617388
ethyl 1-cyclopropyl-7-fluoro-8-imidazol-1-yl-9-methyl-4-oxoquinolizine-3-carboxylate
CID 10689540
ethyl 8-chloro-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylate
CID 56608591
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 1-cyclopropyl-8-[3-(1,3-dioxoisoindol-2-yl)oxypyrrolidin-1-yl]-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylate
CID 76825854
8-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
CID 22474791
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 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-9-methyl-8-[4-(methylamino)phenyl]-4-oxoquinolizine-3-carboxylate
CID 23019684
ethyl 1-cyclopropyl-8-(4-formylphenyl)-9-methyl-4-oxoquinolizine-3-carboxylate
CID 23019700

Frequently Asked Questions

What is the IUPAC name of ethyl 8-chloro-1-cyclopentyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylate?
The IUPAC name of ethyl 8-chloro-1-cyclopentyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylate (CID 56620700) is ethyl 8-chloro-1-cyclopentyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylate.
What is the SMILES notation for ethyl 8-chloro-1-cyclopentyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylate?
The canonical SMILES for ethyl 8-chloro-1-cyclopentyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylate is CCOC(=O)c1cc(C2CCCC2)c2c(C)c(Cl)c(F)cn2c1=O.
What is the InChIKey of ethyl 8-chloro-1-cyclopentyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylate?
The InChIKey is WQSXOMBVYSMNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO3/c1-3-24-18(23)13-8-12(11-6-4-5-7-11)16-10(2)15(19)14(20)9-21(16)17(13)22/h8-9,11H,3-7H2,1-2H3.
What are the key properties of ethyl 8-chloro-1-cyclopentyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylate?
ethyl 8-chloro-1-cyclopentyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylate has a molecular weight of 351.81 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-chloro-1-cyclopentyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylate is sourced from PubChem (CID 56620700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).