N-[4-(4-ethylpiperazin-1-yl)butyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C20H29FN4O2 — CID 86985115

IUPACN-[4-(4-ethylpiperazin-1-yl)butyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCCN1CCN(CCCCNC(=O)C2CC(=O)Nc3cc(F)ccc32)CC1
InChIInChI=1S/C20H29FN4O2/c1-2-24-9-11-25(12-10-24)8-4-3-7-22-20(27)17-14-19(26)23-18-13-15(21)5-6-16(17)18/h5-6,13,17H,2-4,7-12,14H2,1H3,(H,22,27)(H,23,26)
InChIKeyASVLMRBULZQKJP-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.79
Rot. Bonds7

About N-[4-(4-ethylpiperazin-1-yl)butyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-[4-(4-ethylpiperazin-1-yl)butyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 86985115) has the molecular formula C20H29FN4O2 and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)butyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)butyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID86985115
Molecular FormulaC20H29FN4O2
Molecular Weight376.48 g/mol
Exact Mass376.23
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)butyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCCN1CCN(CCCCNC(=O)C2CC(=O)Nc3cc(F)ccc32)CC1
InChIInChI=1S/C20H29FN4O2/c1-2-24-9-11-25(12-10-24)8-4-3-7-22-20(27)17-14-19(26)23-18-13-15(21)5-6-16(17)18/h5-6,13,17H,2-4,7-12,14H2,1H3,(H,22,27)(H,23,26)
InChIKeyASVLMRBULZQKJP-UHFFFAOYSA-N
XLogP1.79
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)butyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)butyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 86985115) is N-[4-(4-ethylpiperazin-1-yl)butyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)butyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)butyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is CCN1CCN(CCCCNC(=O)C2CC(=O)Nc3cc(F)ccc32)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)butyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is ASVLMRBULZQKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN4O2/c1-2-24-9-11-25(12-10-24)8-4-3-7-22-20(27)17-14-19(26)23-18-13-15(21)5-6-16(17)18/h5-6,13,17H,2-4,7-12,14H2,1H3,(H,22,27)(H,23,26).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)butyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-[4-(4-ethylpiperazin-1-yl)butyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)butyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 86985115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).