5-amino-1-cyclopropyl-7-[2-[(5-ethoxycarbonyl-2-pyridinyl)amino]ethylamino]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid

C24H26FN5O6 — CID 59003047

IUPAC5-amino-1-cyclopropyl-7-[2-[(5-ethoxycarbonyl-2-pyridinyl)amino]ethylamino]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
SMILESCCOC(=O)c1ccc(NCCNc2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)nc1
InChIInChI=1S/C24H26FN5O6/c1-3-36-24(34)12-4-7-15(29-10-12)27-8-9-28-19-17(25)18(26)16-20(22(19)35-2)30(13-5-6-13)11-14(21(16)31)23(32)33/h4,7,10-11,13,28H,3,5-6,8-9,26H2,1-2H3,(H,27,29)(H,32,33)
InChIKeyHUQCOJBWVLCOSA-UHFFFAOYSA-N
MW499.50 g/mol
LogP2.86
Rot. Bonds10

About 5-amino-1-cyclopropyl-7-[2-[(5-ethoxycarbonyl-2-pyridinyl)amino]ethylamino]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid

5-amino-1-cyclopropyl-7-[2-[(5-ethoxycarbonyl-2-pyridinyl)amino]ethylamino]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid (PubChem CID 59003047) has the molecular formula C24H26FN5O6 and a molecular weight of 499.50 g/mol. Its IUPAC name is 5-amino-1-cyclopropyl-7-[2-[(5-ethoxycarbonyl-2-pyridinyl)amino]ethylamino]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-cyclopropyl-7-[2-[(5-ethoxycarbonyl-2-pyridinyl)amino]ethylamino]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
PubChem CID59003047
Molecular FormulaC24H26FN5O6
Molecular Weight499.50 g/mol
Exact Mass499.19
IUPAC Name5-amino-1-cyclopropyl-7-[2-[(5-ethoxycarbonyl-2-pyridinyl)amino]ethylamino]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
SMILESCCOC(=O)c1ccc(NCCNc2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)nc1
InChIInChI=1S/C24H26FN5O6/c1-3-36-24(34)12-4-7-15(29-10-12)27-8-9-28-19-17(25)18(26)16-20(22(19)35-2)30(13-5-6-13)11-14(21(16)31)23(32)33/h4,7,10-11,13,28H,3,5-6,8-9,26H2,1-2H3,(H,27,29)(H,32,33)
InChIKeyHUQCOJBWVLCOSA-UHFFFAOYSA-N
XLogP2.86
TPSA157.80 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.50
LogP ≤ 52.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 5-amino-1-cyclopropyl-7-[2-[(5-ethoxycarbonyl-2-pyridinyl)amino]ethylamino]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

5-amino-7-[2-(4-aminophenyl)ethylamino]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 24753108
5-amino-1-cyclopentyl-6-fluoro-8-methoxy-7-[2-(pyridin-2-ylamino)ethylamino]quinolin-4-one
CID 59002903
ethyl 5-amino-1-cyclopropyl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylate
CID 14127986
5-amino-1-cyclopropyl-7-[(3R)-3-[(1R)-1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 54429777
5-amino-1-cyclopropyl-6,8-difluoro-7-[2-(4-hydroxyphenyl)ethylamino]-4-oxoquinoline-3-carboxylic acid
CID 24753374
5-amino-7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 3025927
5-amino-1-cyclopropyl-6-fluoro-7-(4-hydroxy-3,5-dimethylpiperidin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 10180361
5-amino-7-tert-butyl-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 20773338
ethyl (2S)-8-amino-7-fluoro-2-methyl-10-oxo-6-[2-(pyridin-2-ylamino)ethylamino]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylate
CID 70670284
1-cyclopropyl-6-fluoro-5-methoxy-8-methyl-7-[1-(methylamino)cyclopropyl]-4-oxoquinoline-3-carboxylic acid
CID 139671277
5-amino-7-(1-aminocyclopropyl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 10042562
5-amino-1-cyclopropyl-7-[(3S,4R)-3-ethyl-4-(methoxycarbonylamino)pyrrolidin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 15729384

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclopropyl-7-[2-[(5-ethoxycarbonyl-2-pyridinyl)amino]ethylamino]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 5-amino-1-cyclopropyl-7-[2-[(5-ethoxycarbonyl-2-pyridinyl)amino]ethylamino]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid (CID 59003047) is 5-amino-1-cyclopropyl-7-[2-[(5-ethoxycarbonyl-2-pyridinyl)amino]ethylamino]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 5-amino-1-cyclopropyl-7-[2-[(5-ethoxycarbonyl-2-pyridinyl)amino]ethylamino]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 5-amino-1-cyclopropyl-7-[2-[(5-ethoxycarbonyl-2-pyridinyl)amino]ethylamino]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid is CCOC(=O)c1ccc(NCCNc2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)nc1.
What is the InChIKey of 5-amino-1-cyclopropyl-7-[2-[(5-ethoxycarbonyl-2-pyridinyl)amino]ethylamino]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid?
The InChIKey is HUQCOJBWVLCOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O6/c1-3-36-24(34)12-4-7-15(29-10-12)27-8-9-28-19-17(25)18(26)16-20(22(19)35-2)30(13-5-6-13)11-14(21(16)31)23(32)33/h4,7,10-11,13,28H,3,5-6,8-9,26H2,1-2H3,(H,27,29)(H,32,33).
What are the key properties of 5-amino-1-cyclopropyl-7-[2-[(5-ethoxycarbonyl-2-pyridinyl)amino]ethylamino]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid?
5-amino-1-cyclopropyl-7-[2-[(5-ethoxycarbonyl-2-pyridinyl)amino]ethylamino]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid has a molecular weight of 499.50 g/mol, XLogP of 2.86, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-cyclopropyl-7-[2-[(5-ethoxycarbonyl-2-pyridinyl)amino]ethylamino]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 59003047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).