1-cyclopropyl-6-fluoro-7-[[(2S)-4-methoxy-2-(methoxymethyl)butyl]-propylamino]-8-methyl-4-oxoquinoline-3-carboxylic acid

C24H33FN2O5 — CID 143016153

IUPAC1-cyclopropyl-6-fluoro-7-[[(2S)-4-methoxy-2-(methoxymethyl)butyl]-propylamino]-8-methyl-4-oxoquinoline-3-carboxylic acid
SMILESCCCN(C[C@H](CCOC)COC)c1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1C
InChIInChI=1S/C24H33FN2O5/c1-5-9-26(12-16(14-32-4)8-10-31-3)22-15(2)21-18(11-20(22)25)23(28)19(24(29)30)13-27(21)17-6-7-17/h11,13,16-17H,5-10,12,14H2,1-4H3,(H,29,30)/t16-/m0/s1
InChIKeyIXEZKBKOEKYKQJ-INIZCTEOSA-N
MW448.54 g/mol
LogP4.00
Rot. Bonds12

About 1-cyclopropyl-6-fluoro-7-[[(2S)-4-methoxy-2-(methoxymethyl)butyl]-propylamino]-8-methyl-4-oxoquinoline-3-carboxylic acid

1-cyclopropyl-6-fluoro-7-[[(2S)-4-methoxy-2-(methoxymethyl)butyl]-propylamino]-8-methyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 143016153) has the molecular formula C24H33FN2O5 and a molecular weight of 448.54 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-7-[[(2S)-4-methoxy-2-(methoxymethyl)butyl]-propylamino]-8-methyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-6-fluoro-7-[[(2S)-4-methoxy-2-(methoxymethyl)butyl]-propylamino]-8-methyl-4-oxoquinoline-3-carboxylic acid
PubChem CID143016153
Molecular FormulaC24H33FN2O5
Molecular Weight448.54 g/mol
Exact Mass448.24
IUPAC Name1-cyclopropyl-6-fluoro-7-[[(2S)-4-methoxy-2-(methoxymethyl)butyl]-propylamino]-8-methyl-4-oxoquinoline-3-carboxylic acid
SMILESCCCN(C[C@H](CCOC)COC)c1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1C
InChIInChI=1S/C24H33FN2O5/c1-5-9-26(12-16(14-32-4)8-10-31-3)22-15(2)21-18(11-20(22)25)23(28)19(24(29)30)13-27(21)17-6-7-17/h11,13,16-17H,5-10,12,14H2,1-4H3,(H,29,30)/t16-/m0/s1
InChIKeyIXEZKBKOEKYKQJ-INIZCTEOSA-N
XLogP4.00
TPSA81.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-cyclopropyl-6-fluoro-7-[[(2S)-4-methoxy-2-(methoxymethyl)butyl]-propylamino]-8-methyl-4-oxoquinoline-3-carboxylic acid with MolForge

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Related Compounds

7-(2-aminopentoxy)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 70398255
1-cyclopropyl-6-fluoro-7-[4-(1-hydroxy-2-methoxyethyl)piperidin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 143016382
7-(2-aminopropoxy)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 14846355
1-cyclopropyl-6-fluoro-7-[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 11749619
7-[(3S,4S)-3-amino-4-ethylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid;molecular fluorine
CID 159013020
1-cyclopropyl-7-[3-[1-(dimethylamino)ethyl]pyrrolidin-1-yl]-8-ethoxy-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 19046008
1-cyclopropyl-7-[3-(1,2-dihydroxyethyl)piperidin-1-yl]-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 11165600
1-cyclopropyl-7-[4,5-dihydroxyhexyl(methyl)amino]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;ethane
CID 143016239
1-cyclopropyl-6-fluoro-8-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 14052587
7-(1-aminocyclopropyl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 139671294
7-[3-[[acetyl(ethyl)amino]methyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 15622515
7-[3-(1-amino-2-cyanoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 11773899

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-7-[[(2S)-4-methoxy-2-(methoxymethyl)butyl]-propylamino]-8-methyl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-6-fluoro-7-[[(2S)-4-methoxy-2-(methoxymethyl)butyl]-propylamino]-8-methyl-4-oxoquinoline-3-carboxylic acid (CID 143016153) is 1-cyclopropyl-6-fluoro-7-[[(2S)-4-methoxy-2-(methoxymethyl)butyl]-propylamino]-8-methyl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-6-fluoro-7-[[(2S)-4-methoxy-2-(methoxymethyl)butyl]-propylamino]-8-methyl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-6-fluoro-7-[[(2S)-4-methoxy-2-(methoxymethyl)butyl]-propylamino]-8-methyl-4-oxoquinoline-3-carboxylic acid is CCCN(C[C@H](CCOC)COC)c1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1C.
What is the InChIKey of 1-cyclopropyl-6-fluoro-7-[[(2S)-4-methoxy-2-(methoxymethyl)butyl]-propylamino]-8-methyl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is IXEZKBKOEKYKQJ-INIZCTEOSA-N. The full InChI is InChI=1S/C24H33FN2O5/c1-5-9-26(12-16(14-32-4)8-10-31-3)22-15(2)21-18(11-20(22)25)23(28)19(24(29)30)13-27(21)17-6-7-17/h11,13,16-17H,5-10,12,14H2,1-4H3,(H,29,30)/t16-/m0/s1.
What are the key properties of 1-cyclopropyl-6-fluoro-7-[[(2S)-4-methoxy-2-(methoxymethyl)butyl]-propylamino]-8-methyl-4-oxoquinoline-3-carboxylic acid?
1-cyclopropyl-6-fluoro-7-[[(2S)-4-methoxy-2-(methoxymethyl)butyl]-propylamino]-8-methyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 448.54 g/mol, XLogP of 4.00, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-fluoro-7-[[(2S)-4-methoxy-2-(methoxymethyl)butyl]-propylamino]-8-methyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 143016153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).