7-chloro-6-[2-(2-cyanoethoxy)ethylamino]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid

C18H18ClN3O4 — CID 53376683

IUPAC7-chloro-6-[2-(2-cyanoethoxy)ethylamino]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
SMILESN#CCCOCCNc1cc2c(=O)c(C(=O)O)cn(C3CC3)c2cc1Cl
InChIInChI=1S/C18H18ClN3O4/c19-14-9-16-12(8-15(14)21-5-7-26-6-1-4-20)17(23)13(18(24)25)10-22(16)11-2-3-11/h8-11,21H,1-3,5-7H2,(H,24,25)
InChIKeyPLZABSGWRHXXQP-UHFFFAOYSA-N
MW375.81 g/mol
LogP3.03
Rot. Bonds8

About 7-chloro-6-[2-(2-cyanoethoxy)ethylamino]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid

7-chloro-6-[2-(2-cyanoethoxy)ethylamino]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 53376683) has the molecular formula C18H18ClN3O4 and a molecular weight of 375.81 g/mol. Its IUPAC name is 7-chloro-6-[2-(2-cyanoethoxy)ethylamino]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-6-[2-(2-cyanoethoxy)ethylamino]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
PubChem CID53376683
Molecular FormulaC18H18ClN3O4
Molecular Weight375.81 g/mol
Exact Mass375.10
IUPAC Name7-chloro-6-[2-(2-cyanoethoxy)ethylamino]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
SMILESN#CCCOCCNc1cc2c(=O)c(C(=O)O)cn(C3CC3)c2cc1Cl
InChIInChI=1S/C18H18ClN3O4/c19-14-9-16-12(8-15(14)21-5-7-26-6-1-4-20)17(23)13(18(24)25)10-22(16)11-2-3-11/h8-11,21H,1-3,5-7H2,(H,24,25)
InChIKeyPLZABSGWRHXXQP-UHFFFAOYSA-N
XLogP3.03
TPSA104.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-chloro-6-[2-(2-cyanoethoxy)ethylamino]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid
CID 53376047
6-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethylamino]-7-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 143325334
2-[(3-carboxy-7-chloro-1-cyclopropyl-4-oxoquinolin-6-yl)amino]ethylazanium chloride
CID 66524263
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
7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethylamino)ethylamino]-4-oxoquinoline-3-carboxylic acid
CID 59821914
1-cyclopropyl-7-(dimethylamino)-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid
CID 68798582
6,7-dichloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 13385164
1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid
CID 90772389
3-[2-[(7-chloro-1-cyclopropyl-3-methoxycarbonyl-4-oxoquinolin-6-yl)amino]ethyl-methylamino]propanoic acid
CID 69380916
6-[2-[2-(2-carboxyethoxy)ethoxy]ethylamino]-7-chloro-1-ethyl-4-oxoquinoline-3-carboxylic acid
CID 53376795
6-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]-7-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid;7-chloro-6-[2-[2-(2-cyanoethoxy)ethoxy]ethoxy]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid;7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethoxy]-4-oxoquinoline-3-carboxylic acid;2-(2-hydroxyethoxy)ethanol;prop-2-enenitrile;sulfuric acid
CID 158957281
7-amino-6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 70462339

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-[2-(2-cyanoethoxy)ethylamino]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 7-chloro-6-[2-(2-cyanoethoxy)ethylamino]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid (CID 53376683) is 7-chloro-6-[2-(2-cyanoethoxy)ethylamino]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-chloro-6-[2-(2-cyanoethoxy)ethylamino]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 7-chloro-6-[2-(2-cyanoethoxy)ethylamino]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid is N#CCCOCCNc1cc2c(=O)c(C(=O)O)cn(C3CC3)c2cc1Cl.
What is the InChIKey of 7-chloro-6-[2-(2-cyanoethoxy)ethylamino]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is PLZABSGWRHXXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4/c19-14-9-16-12(8-15(14)21-5-7-26-6-1-4-20)17(23)13(18(24)25)10-22(16)11-2-3-11/h8-11,21H,1-3,5-7H2,(H,24,25).
What are the key properties of 7-chloro-6-[2-(2-cyanoethoxy)ethylamino]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid?
7-chloro-6-[2-(2-cyanoethoxy)ethylamino]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 375.81 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-[2-(2-cyanoethoxy)ethylamino]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 53376683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).