6-[2-(3-aminopropoxy)ethoxy]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid

C18H22N2O5 — CID 69024914

IUPAC6-[2-(3-aminopropoxy)ethoxy]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
SMILESNCCCOCCOc1ccc2c(c1)c(=O)c(C(=O)O)cn2C1CC1
InChIInChI=1S/C18H22N2O5/c19-6-1-7-24-8-9-25-13-4-5-16-14(10-13)17(21)15(18(22)23)11-20(16)12-2-3-12/h4-5,10-12H,1-3,6-9,19H2,(H,22,23)
InChIKeyJCRCDXTWZCVBBV-UHFFFAOYSA-N
MW346.38 g/mol
LogP1.78
Rot. Bonds9

About 6-[2-(3-aminopropoxy)ethoxy]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid

6-[2-(3-aminopropoxy)ethoxy]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 69024914) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is 6-[2-(3-aminopropoxy)ethoxy]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(3-aminopropoxy)ethoxy]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
PubChem CID69024914
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name6-[2-(3-aminopropoxy)ethoxy]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
SMILESNCCCOCCOc1ccc2c(c1)c(=O)c(C(=O)O)cn2C1CC1
InChIInChI=1S/C18H22N2O5/c19-6-1-7-24-8-9-25-13-4-5-16-14(10-13)17(21)15(18(22)23)11-20(16)12-2-3-12/h4-5,10-12H,1-3,6-9,19H2,(H,22,23)
InChIKeyJCRCDXTWZCVBBV-UHFFFAOYSA-N
XLogP1.78
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid
CID 90772389
1-cyclopropyl-6-fluoro-4-oxo-7-[4-[2-[2-[2-(2-oxochromen-7-yl)oxyethoxy]ethoxy]ethyl]piperazin-1-yl]quinoline-3-carboxylic acid
CID 122186570
1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 82248137
6,7-dichloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 13385164
1-cyclopropyl-6-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 91022278
1-cyclopropyl-7-ethoxy-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 175055513
6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid
CID 22277610
6-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethylamino]-7-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 143325334
ethyl 6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylate
CID 166439322
1-cyclopropyl-7-(dimethylamino)-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid
CID 68798582
7-(3-aminoprop-1-ynyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 139622136
7-amino-6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 70462339

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-aminopropoxy)ethoxy]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 6-[2-(3-aminopropoxy)ethoxy]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid (CID 69024914) is 6-[2-(3-aminopropoxy)ethoxy]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 6-[2-(3-aminopropoxy)ethoxy]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 6-[2-(3-aminopropoxy)ethoxy]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid is NCCCOCCOc1ccc2c(c1)c(=O)c(C(=O)O)cn2C1CC1.
What is the InChIKey of 6-[2-(3-aminopropoxy)ethoxy]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is JCRCDXTWZCVBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c19-6-1-7-24-8-9-25-13-4-5-16-14(10-13)17(21)15(18(22)23)11-20(16)12-2-3-12/h4-5,10-12H,1-3,6-9,19H2,(H,22,23).
What are the key properties of 6-[2-(3-aminopropoxy)ethoxy]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid?
6-[2-(3-aminopropoxy)ethoxy]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 346.38 g/mol, XLogP of 1.78, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-aminopropoxy)ethoxy]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 69024914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).