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

C20H24ClN3O6 — CID 143325334

IUPAC6-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethylamino]-7-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
SMILESNC(=O)CCOCCOCCNc1cc2c(=O)c(C(=O)O)cn(C3CC3)c2cc1Cl
InChIInChI=1S/C20H24ClN3O6/c21-15-10-17-13(19(26)14(20(27)28)11-24(17)12-1-2-12)9-16(15)23-4-6-30-8-7-29-5-3-18(22)25/h9-12,23H,1-8H2,(H2,22,25)(H,27,28)
InChIKeyPOHYNDFKFLYVOT-UHFFFAOYSA-N
MW437.88 g/mol
LogP2.01
Rot. Bonds12

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

6-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethylamino]-7-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 143325334) has the molecular formula C20H24ClN3O6 and a molecular weight of 437.88 g/mol. Its IUPAC name is 6-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethylamino]-7-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethylamino]-7-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
PubChem CID143325334
Molecular FormulaC20H24ClN3O6
Molecular Weight437.88 g/mol
Exact Mass437.14
IUPAC Name6-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethylamino]-7-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
SMILESNC(=O)CCOCCOCCNc1cc2c(=O)c(C(=O)O)cn(C3CC3)c2cc1Cl
InChIInChI=1S/C20H24ClN3O6/c21-15-10-17-13(19(26)14(20(27)28)11-24(17)12-1-2-12)9-16(15)23-4-6-30-8-7-29-5-3-18(22)25/h9-12,23H,1-8H2,(H2,22,25)(H,27,28)
InChIKeyPOHYNDFKFLYVOT-UHFFFAOYSA-N
XLogP2.01
TPSA132.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.88
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid
CID 53376047
7-chloro-6-[2-(2-cyanoethoxy)ethylamino]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 53376683
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
2-[(3-carboxy-7-chloro-1-cyclopropyl-4-oxoquinolin-6-yl)amino]ethylazanium chloride
CID 66524263
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-[2-[2-(2-carboxyethoxy)ethoxy]ethylamino]-7-chloro-1-ethyl-4-oxoquinoline-3-carboxylic acid
CID 53376795
6,7-dichloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 13385164
3-[2-[(7-chloro-1-cyclopropyl-3-methoxycarbonyl-4-oxoquinolin-6-yl)amino]ethyl-methylamino]propanoic acid
CID 69380916
1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid
CID 90772389
7-chloro-1-ethyl-6-[2-[2-(2-isocyanoethoxy)ethoxy]ethylamino]-4-oxoquinoline-3-carboxylic acid
CID 59821957
7-amino-6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 70462339

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethylamino]-7-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 6-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethylamino]-7-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid (CID 143325334) is 6-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethylamino]-7-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 6-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethylamino]-7-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 6-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethylamino]-7-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid is NC(=O)CCOCCOCCNc1cc2c(=O)c(C(=O)O)cn(C3CC3)c2cc1Cl.
What is the InChIKey of 6-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethylamino]-7-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is POHYNDFKFLYVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O6/c21-15-10-17-13(19(26)14(20(27)28)11-24(17)12-1-2-12)9-16(15)23-4-6-30-8-7-29-5-3-18(22)25/h9-12,23H,1-8H2,(H2,22,25)(H,27,28).
What are the key properties of 6-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethylamino]-7-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid?
6-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethylamino]-7-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 437.88 g/mol, XLogP of 2.01, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethylamino]-7-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 143325334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).