6-(3-aminopropyl)-1-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid

C17H21N3O4 — CID 68585339

IUPAC6-(3-aminopropyl)-1-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid
SMILESNCCCc1ccc2c(c1)c(=O)c(C(=O)O)cn2N1CCOCC1
InChIInChI=1S/C17H21N3O4/c18-5-1-2-12-3-4-15-13(10-12)16(21)14(17(22)23)11-20(15)19-6-8-24-9-7-19/h3-4,10-11H,1-2,5-9,18H2,(H,22,23)
InChIKeyFVGZZQNTOZRRBA-UHFFFAOYSA-N
MW331.37 g/mol
LogP0.56
Rot. Bonds5

About 6-(3-aminopropyl)-1-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid

6-(3-aminopropyl)-1-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid (PubChem CID 68585339) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 6-(3-aminopropyl)-1-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-aminopropyl)-1-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid
PubChem CID68585339
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name6-(3-aminopropyl)-1-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid
SMILESNCCCc1ccc2c(c1)c(=O)c(C(=O)O)cn2N1CCOCC1
InChIInChI=1S/C17H21N3O4/c18-5-1-2-12-3-4-15-13(10-12)16(21)14(17(22)23)11-20(15)19-6-8-24-9-7-19/h3-4,10-11H,1-2,5-9,18H2,(H,22,23)
InChIKeyFVGZZQNTOZRRBA-UHFFFAOYSA-N
XLogP0.56
TPSA97.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopropyl)-1-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 6-(3-aminopropyl)-1-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid (CID 68585339) is 6-(3-aminopropyl)-1-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 6-(3-aminopropyl)-1-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 6-(3-aminopropyl)-1-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid is NCCCc1ccc2c(c1)c(=O)c(C(=O)O)cn2N1CCOCC1.
What is the InChIKey of 6-(3-aminopropyl)-1-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is FVGZZQNTOZRRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c18-5-1-2-12-3-4-15-13(10-12)16(21)14(17(22)23)11-20(15)19-6-8-24-9-7-19/h3-4,10-11H,1-2,5-9,18H2,(H,22,23).
What are the key properties of 6-(3-aminopropyl)-1-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid?
6-(3-aminopropyl)-1-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 331.37 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopropyl)-1-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 68585339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).