2-[(3-carboxy-7-chloro-1-cyclopropyl-4-oxoquinolin-6-yl)amino]ethylazanium chloride

C15H17Cl2N3O3 — CID 66524263

IUPAC2-[(3-carboxy-7-chloro-1-cyclopropyl-4-oxoquinolin-6-yl)amino]ethylazanium chloride
SMILES[Cl-].[NH3+]CCNc1cc2c(=O)c(C(=O)O)cn(C3CC3)c2cc1Cl
InChIInChI=1S/C15H16ClN3O3.ClH/c16-11-6-13-9(5-12(11)18-4-3-17)14(20)10(15(21)22)7-19(13)8-1-2-8;/h5-8,18H,1-4,17H2,(H,21,22);1H
InChIKeyPGTLJOKITYXKEN-UHFFFAOYSA-N
MW358.23 g/mol
LogP-1.65
Rot. Bonds5

About 2-[(3-carboxy-7-chloro-1-cyclopropyl-4-oxoquinolin-6-yl)amino]ethylazanium chloride

2-[(3-carboxy-7-chloro-1-cyclopropyl-4-oxoquinolin-6-yl)amino]ethylazanium chloride (PubChem CID 66524263) has the molecular formula C15H17Cl2N3O3 and a molecular weight of 358.23 g/mol. Its IUPAC name is 2-[(3-carboxy-7-chloro-1-cyclopropyl-4-oxoquinolin-6-yl)amino]ethylazanium chloride.

Molecular Properties

Compound Name2-[(3-carboxy-7-chloro-1-cyclopropyl-4-oxoquinolin-6-yl)amino]ethylazanium chloride
PubChem CID66524263
Molecular FormulaC15H17Cl2N3O3
Molecular Weight358.23 g/mol
Exact Mass357.06
IUPAC Name2-[(3-carboxy-7-chloro-1-cyclopropyl-4-oxoquinolin-6-yl)amino]ethylazanium chloride
SMILES[Cl-].[NH3+]CCNc1cc2c(=O)c(C(=O)O)cn(C3CC3)c2cc1Cl
InChIInChI=1S/C15H16ClN3O3.ClH/c16-11-6-13-9(5-12(11)18-4-3-17)14(20)10(15(21)22)7-19(13)8-1-2-8;/h5-8,18H,1-4,17H2,(H,21,22);1H
InChIKeyPGTLJOKITYXKEN-UHFFFAOYSA-N
XLogP-1.65
TPSA98.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 5-1.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(3-carboxy-7-chloro-1-cyclopropyl-4-oxoquinolin-6-yl)amino]ethylazanium chloride with MolForge

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Related Compounds

7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethylamino)ethylamino]-4-oxoquinoline-3-carboxylic acid
CID 59821914
7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid
CID 53376047
2-[(3-carboxy-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)amino]ethylazanium
CID 118985532
7-chloro-6-[2-(2-cyanoethoxy)ethylamino]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 53376683
6-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethylamino]-7-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 143325334
6,7-dichloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 13385164
2-(2-aminoethoxy)ethanol;7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid
CID 158247032
3-[2-[(7-chloro-1-cyclopropyl-3-methoxycarbonyl-4-oxoquinolin-6-yl)amino]ethyl-methylamino]propanoic acid
CID 69380916
6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid
CID 22277610
7-amino-6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 70462339
3-[2-[(3-acetyloxy-7-chloro-1-cyclopropyl-4-oxoquinolin-6-yl)amino]ethylamino]propanoic acid
CID 175247455
1-cyclopropyl-7-(dimethylamino)-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid
CID 68798582

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carboxy-7-chloro-1-cyclopropyl-4-oxoquinolin-6-yl)amino]ethylazanium chloride?
The IUPAC name of 2-[(3-carboxy-7-chloro-1-cyclopropyl-4-oxoquinolin-6-yl)amino]ethylazanium chloride (CID 66524263) is 2-[(3-carboxy-7-chloro-1-cyclopropyl-4-oxoquinolin-6-yl)amino]ethylazanium chloride.
What is the SMILES notation for 2-[(3-carboxy-7-chloro-1-cyclopropyl-4-oxoquinolin-6-yl)amino]ethylazanium chloride?
The canonical SMILES for 2-[(3-carboxy-7-chloro-1-cyclopropyl-4-oxoquinolin-6-yl)amino]ethylazanium chloride is [Cl-].[NH3+]CCNc1cc2c(=O)c(C(=O)O)cn(C3CC3)c2cc1Cl.
What is the InChIKey of 2-[(3-carboxy-7-chloro-1-cyclopropyl-4-oxoquinolin-6-yl)amino]ethylazanium chloride?
The InChIKey is PGTLJOKITYXKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3.ClH/c16-11-6-13-9(5-12(11)18-4-3-17)14(20)10(15(21)22)7-19(13)8-1-2-8;/h5-8,18H,1-4,17H2,(H,21,22);1H.
What are the key properties of 2-[(3-carboxy-7-chloro-1-cyclopropyl-4-oxoquinolin-6-yl)amino]ethylazanium chloride?
2-[(3-carboxy-7-chloro-1-cyclopropyl-4-oxoquinolin-6-yl)amino]ethylazanium chloride has a molecular weight of 358.23 g/mol, XLogP of -1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carboxy-7-chloro-1-cyclopropyl-4-oxoquinolin-6-yl)amino]ethylazanium chloride is sourced from PubChem (CID 66524263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).