7-[3-(1-aminocyclopropyl)pyrrolidin-1-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate

C21H20FN4O3- — CID 23131133

IUPAC7-[3-(1-aminocyclopropyl)pyrrolidin-1-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
SMILESN#Cc1c(N2CCC(C3(N)CC3)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12
InChIInChI=1S/C21H21FN4O3/c22-16-7-13-17(26(12-1-2-12)10-15(19(13)27)20(28)29)14(8-23)18(16)25-6-3-11(9-25)21(24)4-5-21/h7,10-12H,1-6,9,24H2,(H,28,29)/p-1
InChIKeyFLMDGCPTJDDVMZ-UHFFFAOYSA-M
MW395.41 g/mol
LogP1.03
Rot. Bonds4

About 7-[3-(1-aminocyclopropyl)pyrrolidin-1-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate

7-[3-(1-aminocyclopropyl)pyrrolidin-1-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate (PubChem CID 23131133) has the molecular formula C21H20FN4O3- and a molecular weight of 395.41 g/mol. Its IUPAC name is 7-[3-(1-aminocyclopropyl)pyrrolidin-1-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Name7-[3-(1-aminocyclopropyl)pyrrolidin-1-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
PubChem CID23131133
Molecular FormulaC21H20FN4O3-
Molecular Weight395.41 g/mol
Exact Mass395.15
IUPAC Name7-[3-(1-aminocyclopropyl)pyrrolidin-1-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
SMILESN#Cc1c(N2CCC(C3(N)CC3)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12
InChIInChI=1S/C21H21FN4O3/c22-16-7-13-17(26(12-1-2-12)10-15(19(13)27)20(28)29)14(8-23)18(16)25-6-3-11(9-25)21(24)4-5-21/h7,10-12H,1-6,9,24H2,(H,28,29)/p-1
InChIKeyFLMDGCPTJDDVMZ-UHFFFAOYSA-M
XLogP1.03
TPSA115.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[3-(1-aminocyclopropyl)pyrrolidin-1-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate with MolForge

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Related Compounds

7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 11257968
8-cyano-1-cyclopropyl-6-fluoro-7-[(3R)-3-methyl-5-methylidenepiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 143167277
7-(3-aminopyrrolidin-1-yl)-8-cyano-1-cyclopropyl-6-nitro-4-oxoquinoline-3-carboxylic acid
CID 19776611
7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-8-cyano-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid
CID 59306531
[7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinolin-3-yl] hydrogen carbonate
CID 70109366
7-[3-[1-(2-cyanoethylamino)cyclopropyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 11363021
[1-[(3R)-1-[8-cyano-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-3-methyl-4-oxoquinolin-7-yl]pyrrolidin-3-yl]cyclopropyl]-methylazanide
CID 59306519
7-[(4aS,7aS)-1-(2-cyanoethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 15347195
7-[3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 67271866
silver 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxoquinoline-3-carboxylate
CID 74763608
7-[3-(1-amino-2-cyanoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 11773899
7-[(3S,4S)-4-amino-3-methylpiperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 69018587

Frequently Asked Questions

What is the IUPAC name of 7-[3-(1-aminocyclopropyl)pyrrolidin-1-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate?
The IUPAC name of 7-[3-(1-aminocyclopropyl)pyrrolidin-1-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate (CID 23131133) is 7-[3-(1-aminocyclopropyl)pyrrolidin-1-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for 7-[3-(1-aminocyclopropyl)pyrrolidin-1-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate?
The canonical SMILES for 7-[3-(1-aminocyclopropyl)pyrrolidin-1-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate is N#Cc1c(N2CCC(C3(N)CC3)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12.
What is the InChIKey of 7-[3-(1-aminocyclopropyl)pyrrolidin-1-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate?
The InChIKey is FLMDGCPTJDDVMZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H21FN4O3/c22-16-7-13-17(26(12-1-2-12)10-15(19(13)27)20(28)29)14(8-23)18(16)25-6-3-11(9-25)21(24)4-5-21/h7,10-12H,1-6,9,24H2,(H,28,29)/p-1.
What are the key properties of 7-[3-(1-aminocyclopropyl)pyrrolidin-1-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate?
7-[3-(1-aminocyclopropyl)pyrrolidin-1-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate has a molecular weight of 395.41 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(1-aminocyclopropyl)pyrrolidin-1-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 23131133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).