6-amino-1-cyclopropyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid

C17H20N4O3 — CID 10065081

IUPAC6-amino-1-cyclopropyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
SMILESNc1cc2c(=O)c(C(=O)O)cn(C3CC3)c2cc1N1CCNCC1
InChIInChI=1S/C17H20N4O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6,18H2,(H,23,24)
InChIKeyAVSMCWCOHLNANM-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.03
Rot. Bonds3

About 6-amino-1-cyclopropyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid

6-amino-1-cyclopropyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid (PubChem CID 10065081) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 6-amino-1-cyclopropyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-amino-1-cyclopropyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
PubChem CID10065081
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name6-amino-1-cyclopropyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
SMILESNc1cc2c(=O)c(C(=O)O)cn(C3CC3)c2cc1N1CCNCC1
InChIInChI=1S/C17H20N4O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6,18H2,(H,23,24)
InChIKeyAVSMCWCOHLNANM-UHFFFAOYSA-N
XLogP1.03
TPSA100.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-cyclopropyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid?
The IUPAC name of 6-amino-1-cyclopropyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid (CID 10065081) is 6-amino-1-cyclopropyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid.
What is the SMILES notation for 6-amino-1-cyclopropyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid?
The canonical SMILES for 6-amino-1-cyclopropyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid is Nc1cc2c(=O)c(C(=O)O)cn(C3CC3)c2cc1N1CCNCC1.
What is the InChIKey of 6-amino-1-cyclopropyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid?
The InChIKey is AVSMCWCOHLNANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6,18H2,(H,23,24).
What are the key properties of 6-amino-1-cyclopropyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid?
6-amino-1-cyclopropyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-cyclopropyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid is sourced from PubChem (CID 10065081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).