1,2-dicyclopropyl-6-fluoro-8-methoxy-5-(methylideneamino)-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid

C23H27FN4O4 — CID 144698304

IUPAC1,2-dicyclopropyl-6-fluoro-8-methoxy-5-(methylideneamino)-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
SMILESC=Nc1c(F)c(N2CCNC(C)C2)c(OC)c2c1c(=O)c(C(=O)O)c(C1CC1)n2C1CC1
InChIInChI=1S/C23H27FN4O4/c1-11-10-27(9-8-26-11)20-16(24)17(25-2)14-19(22(20)32-3)28(13-6-7-13)18(12-4-5-12)15(21(14)29)23(30)31/h11-13,26H,2,4-10H2,1,3H3,(H,30,31)
InChIKeyHMKLGXMLCSYWNN-UHFFFAOYSA-N
MW442.49 g/mol
LogP3.19
Rot. Bonds6

About 1,2-dicyclopropyl-6-fluoro-8-methoxy-5-(methylideneamino)-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid

1,2-dicyclopropyl-6-fluoro-8-methoxy-5-(methylideneamino)-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid (PubChem CID 144698304) has the molecular formula C23H27FN4O4 and a molecular weight of 442.49 g/mol. Its IUPAC name is 1,2-dicyclopropyl-6-fluoro-8-methoxy-5-(methylideneamino)-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1,2-dicyclopropyl-6-fluoro-8-methoxy-5-(methylideneamino)-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
PubChem CID144698304
Molecular FormulaC23H27FN4O4
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC Name1,2-dicyclopropyl-6-fluoro-8-methoxy-5-(methylideneamino)-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
SMILESC=Nc1c(F)c(N2CCNC(C)C2)c(OC)c2c1c(=O)c(C(=O)O)c(C1CC1)n2C1CC1
InChIInChI=1S/C23H27FN4O4/c1-11-10-27(9-8-26-11)20-16(24)17(25-2)14-19(22(20)32-3)28(13-6-7-13)18(12-4-5-12)15(21(14)29)23(30)31/h11-13,26H,2,4-10H2,1,3H3,(H,30,31)
InChIKeyHMKLGXMLCSYWNN-UHFFFAOYSA-N
XLogP3.19
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1,2-dicyclopropyl-6-fluoro-8-methoxy-5-(methylideneamino)-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid 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

1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrobromide
CID 140541872
1-cyclopropyl-2,5,6-trifluoro-8-methoxy-7-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 174330296
S-[2-(methylamino)-2-oxoethyl] 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carbothioate
CID 89381313
1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 53232608
7-[4-[[(2R,3S,4S,5R,6S)-4-amino-6-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,5-dihydroxyoxan-2-yl]methoxymethyl]-3-methylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carboxylic acid;(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol;1-cyclopropyl-6-fluoro-8-methoxy-2,5-dimethyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 162038529
[6-chloro-1-cyclopropyl-8-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl] hydrogen carbonate
CID 70412082
5-cyclopropyl-8-fluoro-6-methoxy-7-(3-methylpiperazin-1-yl)-2-oxo-1,5-benzoxazepine-3-carboxylic acid
CID 170454424
1-ethyl-5,6,8-trifluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 19763557
1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-2,3-dihydroquinolin-4-one
CID 141383468
5-amino-1-cyclopropyl-6-fluoro-8-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 10571433
formyloxymethyl 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate
CID 144698365
[4-[1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carbonyl]oxy-1-dihydroxyphosphanylbutyl]phosphonous acid
CID 143406793

Frequently Asked Questions

What is the IUPAC name of 1,2-dicyclopropyl-6-fluoro-8-methoxy-5-(methylideneamino)-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1,2-dicyclopropyl-6-fluoro-8-methoxy-5-(methylideneamino)-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid (CID 144698304) is 1,2-dicyclopropyl-6-fluoro-8-methoxy-5-(methylideneamino)-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1,2-dicyclopropyl-6-fluoro-8-methoxy-5-(methylideneamino)-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1,2-dicyclopropyl-6-fluoro-8-methoxy-5-(methylideneamino)-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid is C=Nc1c(F)c(N2CCNC(C)C2)c(OC)c2c1c(=O)c(C(=O)O)c(C1CC1)n2C1CC1.
What is the InChIKey of 1,2-dicyclopropyl-6-fluoro-8-methoxy-5-(methylideneamino)-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid?
The InChIKey is HMKLGXMLCSYWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O4/c1-11-10-27(9-8-26-11)20-16(24)17(25-2)14-19(22(20)32-3)28(13-6-7-13)18(12-4-5-12)15(21(14)29)23(30)31/h11-13,26H,2,4-10H2,1,3H3,(H,30,31).
What are the key properties of 1,2-dicyclopropyl-6-fluoro-8-methoxy-5-(methylideneamino)-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid?
1,2-dicyclopropyl-6-fluoro-8-methoxy-5-(methylideneamino)-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid has a molecular weight of 442.49 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dicyclopropyl-6-fluoro-8-methoxy-5-(methylideneamino)-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 144698304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).