6-amino-1-methyl-4-oxo-7-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid

C19H20N6O3 — CID 3012843

IUPAC6-amino-1-methyl-4-oxo-7-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid
SMILESCn1cc(C(=O)O)c(=O)c2cc(N)c(N3CCN(c4cnccn4)CC3)cc21
InChIInChI=1S/C19H20N6O3/c1-23-11-13(19(27)28)18(26)12-8-14(20)16(9-15(12)23)24-4-6-25(7-5-24)17-10-21-2-3-22-17/h2-3,8-11H,4-7,20H2,1H3,(H,27,28)
InChIKeyLXAZXLQJUFDDSX-UHFFFAOYSA-N
MW380.41 g/mol
LogP0.94
Rot. Bonds3

About 6-amino-1-methyl-4-oxo-7-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid

6-amino-1-methyl-4-oxo-7-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid (PubChem CID 3012843) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is 6-amino-1-methyl-4-oxo-7-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-amino-1-methyl-4-oxo-7-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid
PubChem CID3012843
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC Name6-amino-1-methyl-4-oxo-7-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid
SMILESCn1cc(C(=O)O)c(=O)c2cc(N)c(N3CCN(c4cnccn4)CC3)cc21
InChIInChI=1S/C19H20N6O3/c1-23-11-13(19(27)28)18(26)12-8-14(20)16(9-15(12)23)24-4-6-25(7-5-24)17-10-21-2-3-22-17/h2-3,8-11H,4-7,20H2,1H3,(H,27,28)
InChIKeyLXAZXLQJUFDDSX-UHFFFAOYSA-N
XLogP0.94
TPSA117.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

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
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
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
8-(Difluoromethyl)-1-ethyl-6-fluoro-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylic acid
CID 462157
6-Amino-1-cyclopropyl-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylic acid
CID 481124
6-Amino-1-tert-butyl-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylic acid
CID 460146

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-4-oxo-7-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid?
The IUPAC name of 6-amino-1-methyl-4-oxo-7-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid (CID 3012843) is 6-amino-1-methyl-4-oxo-7-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid.
What is the SMILES notation for 6-amino-1-methyl-4-oxo-7-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid?
The canonical SMILES for 6-amino-1-methyl-4-oxo-7-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid is Cn1cc(C(=O)O)c(=O)c2cc(N)c(N3CCN(c4cnccn4)CC3)cc21.
What is the InChIKey of 6-amino-1-methyl-4-oxo-7-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid?
The InChIKey is LXAZXLQJUFDDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-23-11-13(19(27)28)18(26)12-8-14(20)16(9-15(12)23)24-4-6-25(7-5-24)17-10-21-2-3-22-17/h2-3,8-11H,4-7,20H2,1H3,(H,27,28).
What are the key properties of 6-amino-1-methyl-4-oxo-7-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid?
6-amino-1-methyl-4-oxo-7-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid has a molecular weight of 380.41 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-4-oxo-7-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid is sourced from PubChem (CID 3012843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).