6-amino-7-[2-[ethyl(pyridin-2-yl)amino]ethylamino]-1-methyl-4-oxoquinoline-3-carboxylic acid

C20H23N5O3 — CID 44569142

IUPAC6-amino-7-[2-[ethyl(pyridin-2-yl)amino]ethylamino]-1-methyl-4-oxoquinoline-3-carboxylic acid
SMILESCCN(CCNc1cc2c(cc1N)c(=O)c(C(=O)O)cn2C)c1ccccn1
InChIInChI=1S/C20H23N5O3/c1-3-25(18-6-4-5-7-23-18)9-8-22-16-11-17-13(10-15(16)21)19(26)14(20(27)28)12-24(17)2/h4-7,10-12,22H,3,8-9,21H2,1-2H3,(H,27,28)
InChIKeyLKFWOZMGAJGVBT-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.15
Rot. Bonds7

About 6-amino-7-[2-[ethyl(pyridin-2-yl)amino]ethylamino]-1-methyl-4-oxoquinoline-3-carboxylic acid

6-amino-7-[2-[ethyl(pyridin-2-yl)amino]ethylamino]-1-methyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 44569142) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 6-amino-7-[2-[ethyl(pyridin-2-yl)amino]ethylamino]-1-methyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-amino-7-[2-[ethyl(pyridin-2-yl)amino]ethylamino]-1-methyl-4-oxoquinoline-3-carboxylic acid
PubChem CID44569142
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name6-amino-7-[2-[ethyl(pyridin-2-yl)amino]ethylamino]-1-methyl-4-oxoquinoline-3-carboxylic acid
SMILESCCN(CCNc1cc2c(cc1N)c(=O)c(C(=O)O)cn2C)c1ccccn1
InChIInChI=1S/C20H23N5O3/c1-3-25(18-6-4-5-7-23-18)9-8-22-16-11-17-13(10-15(16)21)19(26)14(20(27)28)12-24(17)2/h4-7,10-12,22H,3,8-9,21H2,1-2H3,(H,27,28)
InChIKeyLKFWOZMGAJGVBT-UHFFFAOYSA-N
XLogP2.15
TPSA113.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-amino-7-[2-[ethyl(pyridin-2-yl)amino]ethylamino]-1-methyl-4-oxoquinoline-3-carboxylic acid with MolForge

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Related Compounds

Ozenoxacin
CID 9863827
1-Ethyl-6-fluoro-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]-8-(trifluoromethyl)quinoline-3-carboxylic acid
CID 461335
6-Fluoro-1-methyl-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]-8-(trifluoromethyl)quinoline-3-carboxylic acid
CID 463720
1-Cyclopropyl-6-fluoro-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]-8-(trifluoromethyl)quinoline-3-carboxylic acid
CID 468613
6-Amino-1-methyl-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylic acid
CID 481127
5-Amino-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-[2-(2-pyridylamino)ethylamino]quinoline-3-carboxylic acid
CID 24752946
5-Amino-1-cyclopropyl-6,8-difluoro-7-[2-(2-pyridylamino)ethylamino]-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
CID 24753198
5-Amino-1-cyclopentyl-6,8-difluoro-4-oxo-7-[2-(pyridin-2-ylamino)ethylamino]quinoline-3-carboxylic acid
CID 24753849
8-Fluoro-1-[[4-[6-(methylamino)-3-pyridinyl]phenyl]methyl]-4-oxoquinoline-3-carboxylic acid
CID 24967791
6-Amino-7-fluoro-4-oxo-8-[2-(pyridin-2-ylamino)ethylamino]spiro[1,10-diazatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxylic acid
CID 25253980
1-Cyclopropyl-8-(difluoromethyl)-6-fluoro-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylic acid
CID 457860
8-(Difluoromethyl)-6-fluoro-1-methyl-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylic acid
CID 462156

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-[2-[ethyl(pyridin-2-yl)amino]ethylamino]-1-methyl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 6-amino-7-[2-[ethyl(pyridin-2-yl)amino]ethylamino]-1-methyl-4-oxoquinoline-3-carboxylic acid (CID 44569142) is 6-amino-7-[2-[ethyl(pyridin-2-yl)amino]ethylamino]-1-methyl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 6-amino-7-[2-[ethyl(pyridin-2-yl)amino]ethylamino]-1-methyl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 6-amino-7-[2-[ethyl(pyridin-2-yl)amino]ethylamino]-1-methyl-4-oxoquinoline-3-carboxylic acid is CCN(CCNc1cc2c(cc1N)c(=O)c(C(=O)O)cn2C)c1ccccn1.
What is the InChIKey of 6-amino-7-[2-[ethyl(pyridin-2-yl)amino]ethylamino]-1-methyl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is LKFWOZMGAJGVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-3-25(18-6-4-5-7-23-18)9-8-22-16-11-17-13(10-15(16)21)19(26)14(20(27)28)12-24(17)2/h4-7,10-12,22H,3,8-9,21H2,1-2H3,(H,27,28).
What are the key properties of 6-amino-7-[2-[ethyl(pyridin-2-yl)amino]ethylamino]-1-methyl-4-oxoquinoline-3-carboxylic acid?
6-amino-7-[2-[ethyl(pyridin-2-yl)amino]ethylamino]-1-methyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 381.44 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-[2-[ethyl(pyridin-2-yl)amino]ethylamino]-1-methyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 44569142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).