7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-[(2R)-1-fluoropropan-2-yl]-4-oxoquinoline-3-carboxylic acid

C20H24FN3O3 — CID 71165794

IUPAC7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-[(2R)-1-fluoropropan-2-yl]-4-oxoquinoline-3-carboxylic acid
SMILESC[C@H](CF)n1cc(C(=O)O)c(=O)c2ccc(N3CC[C@@H](C4(N)CC4)C3)cc21
InChIInChI=1S/C20H24FN3O3/c1-12(9-21)24-11-16(19(26)27)18(25)15-3-2-14(8-17(15)24)23-7-4-13(10-23)20(22)5-6-20/h2-3,8,11-13H,4-7,9-10,22H2,1H3,(H,26,27)/t12-,13-/m1/s1
InChIKeyABUKPAPWYXFYCL-CHWSQXEVSA-N
MW373.43 g/mol
LogP2.55
Rot. Bonds5

About 7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-[(2R)-1-fluoropropan-2-yl]-4-oxoquinoline-3-carboxylic acid

7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-[(2R)-1-fluoropropan-2-yl]-4-oxoquinoline-3-carboxylic acid (PubChem CID 71165794) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is 7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-[(2R)-1-fluoropropan-2-yl]-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-[(2R)-1-fluoropropan-2-yl]-4-oxoquinoline-3-carboxylic acid
PubChem CID71165794
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-[(2R)-1-fluoropropan-2-yl]-4-oxoquinoline-3-carboxylic acid
SMILESC[C@H](CF)n1cc(C(=O)O)c(=O)c2ccc(N3CC[C@@H](C4(N)CC4)C3)cc21
InChIInChI=1S/C20H24FN3O3/c1-12(9-21)24-11-16(19(26)27)18(25)15-3-2-14(8-17(15)24)23-7-4-13(10-23)20(22)5-6-20/h2-3,8,11-13H,4-7,9-10,22H2,1H3,(H,26,27)/t12-,13-/m1/s1
InChIKeyABUKPAPWYXFYCL-CHWSQXEVSA-N
XLogP2.55
TPSA88.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-[(2R)-1-fluoropropan-2-yl]-4-oxoquinoline-3-carboxylic acid with MolForge

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Related Compounds

7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-[(1R,2R)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid
CID 67271550
7-[3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 67271866
7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-4-oxoquinoline-3-carboxylic acid
CID 67272284
6-[3-(1-aminocyclopropyl)pyrrolidin-1-yl]-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid
CID 67271681
7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-8-chloro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid
CID 58882369
1-cyclopropyl-7-(3-ethyl-4,5-dimethylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 20631370
7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-8-cyano-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid
CID 59306531
7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 11257968
1-cyclopropyl-6-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 91022278
4-oxo-1-propan-2-yl-7-propan-2-yloxyquinoline-3-carboxylic acid
CID 82250463
1-butan-2-yl-7-chloro-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 143297468
6-[[3-chloro-2-fluoro-5-(3-hydroxypyrrolidin-1-yl)phenyl]methyl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid
CID 66889470

Frequently Asked Questions

What is the IUPAC name of 7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-[(2R)-1-fluoropropan-2-yl]-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-[(2R)-1-fluoropropan-2-yl]-4-oxoquinoline-3-carboxylic acid (CID 71165794) is 7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-[(2R)-1-fluoropropan-2-yl]-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-[(2R)-1-fluoropropan-2-yl]-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-[(2R)-1-fluoropropan-2-yl]-4-oxoquinoline-3-carboxylic acid is C[C@H](CF)n1cc(C(=O)O)c(=O)c2ccc(N3CC[C@@H](C4(N)CC4)C3)cc21.
What is the InChIKey of 7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-[(2R)-1-fluoropropan-2-yl]-4-oxoquinoline-3-carboxylic acid?
The InChIKey is ABUKPAPWYXFYCL-CHWSQXEVSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-12(9-21)24-11-16(19(26)27)18(25)15-3-2-14(8-17(15)24)23-7-4-13(10-23)20(22)5-6-20/h2-3,8,11-13H,4-7,9-10,22H2,1H3,(H,26,27)/t12-,13-/m1/s1.
What are the key properties of 7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-[(2R)-1-fluoropropan-2-yl]-4-oxoquinoline-3-carboxylic acid?
7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-[(2R)-1-fluoropropan-2-yl]-4-oxoquinoline-3-carboxylic acid has a molecular weight of 373.43 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-[(2R)-1-fluoropropan-2-yl]-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 71165794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).