6-amino-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1H-quinoline-3-carboxylic acid

C17H17N5O3S — CID 25053732

IUPAC6-amino-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1H-quinoline-3-carboxylic acid
SMILESNc1cc2c(=O)c(C(=O)O)c[nH]c2cc1N1CCN(c2nccs2)CC1
InChIInChI=1S/C17H17N5O3S/c18-12-7-10-13(20-9-11(15(10)23)16(24)25)8-14(12)21-2-4-22(5-3-21)17-19-1-6-26-17/h1,6-9H,2-5,18H2,(H,20,23)(H,24,25)
InChIKeyBCICSHUUOHILFV-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.59
Rot. Bonds3

About 6-amino-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1H-quinoline-3-carboxylic acid

6-amino-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1H-quinoline-3-carboxylic acid (PubChem CID 25053732) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is 6-amino-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-amino-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1H-quinoline-3-carboxylic acid
PubChem CID25053732
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC Name6-amino-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1H-quinoline-3-carboxylic acid
SMILESNc1cc2c(=O)c(C(=O)O)c[nH]c2cc1N1CCN(c2nccs2)CC1
InChIInChI=1S/C17H17N5O3S/c18-12-7-10-13(20-9-11(15(10)23)16(24)25)8-14(12)21-2-4-22(5-3-21)17-19-1-6-26-17/h1,6-9H,2-5,18H2,(H,20,23)(H,24,25)
InChIKeyBCICSHUUOHILFV-UHFFFAOYSA-N
XLogP1.59
TPSA115.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-Amino-7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-tert-butyl-4-oxo-quinoline-3-carboxylic acid
CID 49776907
3-Quinolinecarboxylic acid, 6-amino-7-[4-(2-benzothiazolyl)-1-piperazinyl]-1-cyclopropyl-1,4-dihydro-4-oxo-
CID 3012851
7-[3[(Ethylamino)methyl]-1-pyrrolidinyl]-6,8-difluoro-1,4-dihydro-4-oxo-1-(2-thiazolyl)-3-quinolinecarboxylic acid
CID 13728332
5-Amino-7-(3-aminopyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 45264518
6-Amino-7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-methyl-4-oxo-quinoline-3-carboxylic acid
CID 3002928
6-Amino-1-methyl-4-oxo-7-(4-thiazol-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid
CID 3012839
3-Quinolinecarboxylic acid, 6-amino-1-(2-benzothiazolyl)-1,4-dihydro-4-oxo-7-[4-(2-pyridinyl)-1-piperazinyl]-
CID 3012856
1-Methyl-4-oxo-7-(4-thiazol-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid
CID 25053787
6-Amino-1-methyl-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinolin-4-one
CID 44569128
6-Amino-7-[2-[ethyl(pyridin-2-yl)amino]ethylamino]-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 44569142
7-(3-Aminopyrrolidin-1-yl)-6,8-difluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylic acid;hydrochloride
CID 45262517
7-(3-Aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylic acid;hydrochloride
CID 45265579

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1H-quinoline-3-carboxylic acid?
The IUPAC name of 6-amino-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1H-quinoline-3-carboxylic acid (CID 25053732) is 6-amino-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 6-amino-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 6-amino-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1H-quinoline-3-carboxylic acid is Nc1cc2c(=O)c(C(=O)O)c[nH]c2cc1N1CCN(c2nccs2)CC1.
What is the InChIKey of 6-amino-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1H-quinoline-3-carboxylic acid?
The InChIKey is BCICSHUUOHILFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c18-12-7-10-13(20-9-11(15(10)23)16(24)25)8-14(12)21-2-4-22(5-3-21)17-19-1-6-26-17/h1,6-9H,2-5,18H2,(H,20,23)(H,24,25).
What are the key properties of 6-amino-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1H-quinoline-3-carboxylic acid?
6-amino-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1H-quinoline-3-carboxylic acid has a molecular weight of 371.42 g/mol, XLogP of 1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 25053732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).