ethyl 1-[[(1R,2S)-2-fluorocyclopropyl]amino]-8-methoxy-4-oxoquinoline-3-carboxylate

C16H17FN2O4 — CID 150893862

IUPACethyl 1-[[(1R,2S)-2-fluorocyclopropyl]amino]-8-methoxy-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(N[C@@H]2C[C@@H]2F)c2c(OC)cccc2c1=O
InChIInChI=1S/C16H17FN2O4/c1-3-23-16(21)10-8-19(18-12-7-11(12)17)14-9(15(10)20)5-4-6-13(14)22-2/h4-6,8,11-12,18H,3,7H2,1-2H3/t11-,12+/m0/s1
InChIKeyKYOPUYDUFULBEV-NWDGAFQWSA-N
MW320.32 g/mol
LogP1.84
Rot. Bonds5

About ethyl 1-[[(1R,2S)-2-fluorocyclopropyl]amino]-8-methoxy-4-oxoquinoline-3-carboxylate

ethyl 1-[[(1R,2S)-2-fluorocyclopropyl]amino]-8-methoxy-4-oxoquinoline-3-carboxylate (PubChem CID 150893862) has the molecular formula C16H17FN2O4 and a molecular weight of 320.32 g/mol. Its IUPAC name is ethyl 1-[[(1R,2S)-2-fluorocyclopropyl]amino]-8-methoxy-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[(1R,2S)-2-fluorocyclopropyl]amino]-8-methoxy-4-oxoquinoline-3-carboxylate
PubChem CID150893862
Molecular FormulaC16H17FN2O4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Nameethyl 1-[[(1R,2S)-2-fluorocyclopropyl]amino]-8-methoxy-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(N[C@@H]2C[C@@H]2F)c2c(OC)cccc2c1=O
InChIInChI=1S/C16H17FN2O4/c1-3-23-16(21)10-8-19(18-12-7-11(12)17)14-9(15(10)20)5-4-6-13(14)22-2/h4-6,8,11-12,18H,3,7H2,1-2H3/t11-,12+/m0/s1
InChIKeyKYOPUYDUFULBEV-NWDGAFQWSA-N
XLogP1.84
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[[(1R,2S)-2-fluorocyclopropyl]amino]-8-methoxy-4-oxoquinoline-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 1-(3-fluoropropyl)-8-methoxy-4-oxoquinoline-3-carboxylate
CID 118643323
(1-fluoro-8-methoxy-4-oxoquinoline-3-carbonyl) 1-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate
CID 141360064
ethyl 7,8-dichloro-1-[(1R,2R)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylate
CID 67270782
ethyl 8-fluoro-1-(oxiran-2-ylmethyl)-4-oxoquinoline-3-carboxylate
CID 71624259
ethyl 5-methoxy-12-oxo-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,10,13(17),14-heptaene-11-carboxylate
CID 138970607
ethyl 10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate
CID 141442916
ethyl 2-ethoxy-3-methoxybenzoate
CID 82186199
ethyl 2-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate
CID 39768507
ethyl 4,7-dimethoxy-1-methylindole-3-carboxylate
CID 100984244
ethyl 6,7-difluoro-1-[(1R,2R)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylate
CID 70114932
ethyl 6,7-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylate
CID 70114933
ethyl 1-ethyl-7,8-dihydroxy-4-oxoquinoline-3-carboxylate;methyl 1-ethyl-7,8-dihydroxy-4-oxoquinoline-3-carboxylate
CID 159602543

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[(1R,2S)-2-fluorocyclopropyl]amino]-8-methoxy-4-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 1-[[(1R,2S)-2-fluorocyclopropyl]amino]-8-methoxy-4-oxoquinoline-3-carboxylate (CID 150893862) is ethyl 1-[[(1R,2S)-2-fluorocyclopropyl]amino]-8-methoxy-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-[[(1R,2S)-2-fluorocyclopropyl]amino]-8-methoxy-4-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 1-[[(1R,2S)-2-fluorocyclopropyl]amino]-8-methoxy-4-oxoquinoline-3-carboxylate is CCOC(=O)c1cn(N[C@@H]2C[C@@H]2F)c2c(OC)cccc2c1=O.
What is the InChIKey of ethyl 1-[[(1R,2S)-2-fluorocyclopropyl]amino]-8-methoxy-4-oxoquinoline-3-carboxylate?
The InChIKey is KYOPUYDUFULBEV-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H17FN2O4/c1-3-23-16(21)10-8-19(18-12-7-11(12)17)14-9(15(10)20)5-4-6-13(14)22-2/h4-6,8,11-12,18H,3,7H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of ethyl 1-[[(1R,2S)-2-fluorocyclopropyl]amino]-8-methoxy-4-oxoquinoline-3-carboxylate?
ethyl 1-[[(1R,2S)-2-fluorocyclopropyl]amino]-8-methoxy-4-oxoquinoline-3-carboxylate has a molecular weight of 320.32 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[(1R,2S)-2-fluorocyclopropyl]amino]-8-methoxy-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 150893862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).