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

C26H34FN3O5 — CID 10743589

IUPACethyl 1-cyclopropyl-7-fluoro-9-methyl-8-[(3S,4R)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylate
SMILESCCOC(=O)c1cc(C2CC2)c2c(C)c(N3C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)c(F)cn2c1=O
InChIInChI=1S/C26H34FN3O5/c1-7-34-24(32)18-10-17(16-8-9-16)21-15(3)22(19(27)12-30(21)23(18)31)29-11-14(2)20(13-29)28-25(33)35-26(4,5)6/h10,12,14,16,20H,7-9,11,13H2,1-6H3,(H,28,33)/t14-,20-/m0/s1
InChIKeyVKASGPDRZAOFLC-XOBRGWDASA-N
MW487.57 g/mol
LogP4.15
Rot. Bonds5

About 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

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 (PubChem CID 10743589) has the molecular formula C26H34FN3O5 and a molecular weight of 487.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethyl 1-cyclopropyl-7-fluoro-9-methyl-8-[(3S,4R)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylate
PubChem CID10743589
Molecular FormulaC26H34FN3O5
Molecular Weight487.57 g/mol
Exact Mass487.25
IUPAC Nameethyl 1-cyclopropyl-7-fluoro-9-methyl-8-[(3S,4R)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylate
SMILESCCOC(=O)c1cc(C2CC2)c2c(C)c(N3C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)c(F)cn2c1=O
InChIInChI=1S/C26H34FN3O5/c1-7-34-24(32)18-10-17(16-8-9-16)21-15(3)22(19(27)12-30(21)23(18)31)29-11-14(2)20(13-29)28-25(33)35-26(4,5)6/h10,12,14,16,20H,7-9,11,13H2,1-6H3,(H,28,33)/t14-,20-/m0/s1
InChIKeyVKASGPDRZAOFLC-XOBRGWDASA-N
XLogP4.15
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.57
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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-8-[3-(fluoromethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-9-methyl-4-oxoquinolizine-3-carboxylate
CID 56630490
ethyl 1-cyclopropyl-8-[(3S,5S)-3-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-7-hydroxy-9-methyl-4-oxoquinolizine-3-carboxylate
CID 20792081
ethyl 1-cyclopropyl-7-fluoro-8-imidazol-1-yl-9-methyl-4-oxoquinolizine-3-carboxylate
CID 10689540
ethyl 1-cyclopropyl-8-[3-(1,3-dioxoisoindol-2-yl)oxypyrrolidin-1-yl]-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylate
CID 76825854
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-7,8-difluoro-9-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-2-yl]prop-1-ynyl]-4-oxoquinolizine-3-carboxylate
CID 123433111
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
1-cyclopropyl-8-(3,5-dimethylpiperazin-1-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride
CID 78192833
ethyl 6-fluoro-1-(2-fluorocyclopropyl)-7-[3-(fluoromethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-8-methyl-4-oxoquinoline-3-carboxylate
CID 76560070
8-(3-amino-4-methoxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
CID 512777

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC(=O)c1cc(C2CC2)c2c(C)c(N3C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)c(F)cn2c1=O.
What is the InChIKey of 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?
The InChIKey is VKASGPDRZAOFLC-XOBRGWDASA-N. The full InChI is InChI=1S/C26H34FN3O5/c1-7-34-24(32)18-10-17(16-8-9-16)21-15(3)22(19(27)12-30(21)23(18)31)29-11-14(2)20(13-29)28-25(33)35-26(4,5)6/h10,12,14,16,20H,7-9,11,13H2,1-6H3,(H,28,33)/t14-,20-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 487.57 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 10743589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).