ethyl 1-cyclopropyl-7-fluoro-8-imidazol-1-yl-9-methyl-4-oxoquinolizine-3-carboxylate

C19H18FN3O3 — CID 10689540

IUPACethyl 1-cyclopropyl-7-fluoro-8-imidazol-1-yl-9-methyl-4-oxoquinolizine-3-carboxylate
SMILESCCOC(=O)c1cc(C2CC2)c2c(C)c(-n3ccnc3)c(F)cn2c1=O
InChIInChI=1S/C19H18FN3O3/c1-3-26-19(25)14-8-13(12-4-5-12)16-11(2)17(22-7-6-21-10-22)15(20)9-23(16)18(14)24/h6-10,12H,3-5H2,1-2H3
InChIKeyMYKGTUGJESDLHM-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.99
Rot. Bonds4

About ethyl 1-cyclopropyl-7-fluoro-8-imidazol-1-yl-9-methyl-4-oxoquinolizine-3-carboxylate

ethyl 1-cyclopropyl-7-fluoro-8-imidazol-1-yl-9-methyl-4-oxoquinolizine-3-carboxylate (PubChem CID 10689540) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is ethyl 1-cyclopropyl-7-fluoro-8-imidazol-1-yl-9-methyl-4-oxoquinolizine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyclopropyl-7-fluoro-8-imidazol-1-yl-9-methyl-4-oxoquinolizine-3-carboxylate
PubChem CID10689540
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Nameethyl 1-cyclopropyl-7-fluoro-8-imidazol-1-yl-9-methyl-4-oxoquinolizine-3-carboxylate
SMILESCCOC(=O)c1cc(C2CC2)c2c(C)c(-n3ccnc3)c(F)cn2c1=O
InChIInChI=1S/C19H18FN3O3/c1-3-26-19(25)14-8-13(12-4-5-12)16-11(2)17(22-7-6-21-10-22)15(20)9-23(16)18(14)24/h6-10,12H,3-5H2,1-2H3
InChIKeyMYKGTUGJESDLHM-UHFFFAOYSA-N
XLogP2.99
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-cyclopropyl-7-fluoro-8-imidazol-1-yl-9-methyl-4-oxoquinolizine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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 8,9-dichloro-1-cyclopropyl-7-fluoro-4-oxoquinolizine-3-carboxylate
CID 10617388
ethyl 8-chloro-1-cyclopentyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylate
CID 56620700
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
ethyl 1-cyclopropyl-9-methyl-4-oxo-8-pyridin-3-ylquinolizine-3-carboxylate
CID 21104489
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
8-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
CID 22474791
ethyl 1-cyclopropyl-8-(4-formylphenyl)-9-methyl-4-oxoquinolizine-3-carboxylate
CID 23019700
ethyl 1-cyclopropyl-9-methyl-8-[4-(methylamino)phenyl]-4-oxoquinolizine-3-carboxylate
CID 23019684
1-cyclopropyl-8-(3,5-dimethylpiperazin-1-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride
CID 78192833

Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclopropyl-7-fluoro-8-imidazol-1-yl-9-methyl-4-oxoquinolizine-3-carboxylate?
The IUPAC name of ethyl 1-cyclopropyl-7-fluoro-8-imidazol-1-yl-9-methyl-4-oxoquinolizine-3-carboxylate (CID 10689540) is ethyl 1-cyclopropyl-7-fluoro-8-imidazol-1-yl-9-methyl-4-oxoquinolizine-3-carboxylate.
What is the SMILES notation for ethyl 1-cyclopropyl-7-fluoro-8-imidazol-1-yl-9-methyl-4-oxoquinolizine-3-carboxylate?
The canonical SMILES for ethyl 1-cyclopropyl-7-fluoro-8-imidazol-1-yl-9-methyl-4-oxoquinolizine-3-carboxylate is CCOC(=O)c1cc(C2CC2)c2c(C)c(-n3ccnc3)c(F)cn2c1=O.
What is the InChIKey of ethyl 1-cyclopropyl-7-fluoro-8-imidazol-1-yl-9-methyl-4-oxoquinolizine-3-carboxylate?
The InChIKey is MYKGTUGJESDLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-3-26-19(25)14-8-13(12-4-5-12)16-11(2)17(22-7-6-21-10-22)15(20)9-23(16)18(14)24/h6-10,12H,3-5H2,1-2H3.
What are the key properties of ethyl 1-cyclopropyl-7-fluoro-8-imidazol-1-yl-9-methyl-4-oxoquinolizine-3-carboxylate?
ethyl 1-cyclopropyl-7-fluoro-8-imidazol-1-yl-9-methyl-4-oxoquinolizine-3-carboxylate has a molecular weight of 355.37 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyclopropyl-7-fluoro-8-imidazol-1-yl-9-methyl-4-oxoquinolizine-3-carboxylate is sourced from PubChem (CID 10689540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).