6-fluoro-N-[2-(4-fluoropiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide

C24H33F2N5O2 — CID 162651840

IUPAC6-fluoro-N-[2-(4-fluoropiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide
SMILESO=C(NCCN1CCC(F)CC1)c1cc(NCCCN2CCOCC2)nc2ccc(F)cc12
InChIInChI=1S/C24H33F2N5O2/c25-18-4-9-31(10-5-18)11-7-28-24(32)21-17-23(29-22-3-2-19(26)16-20(21)22)27-6-1-8-30-12-14-33-15-13-30/h2-3,16-18H,1,4-15H2,(H,27,29)(H,28,32)
InChIKeyAUGMJLAYWIQFEG-UHFFFAOYSA-N
MW461.56 g/mol
LogP2.67
Rot. Bonds9

About 6-fluoro-N-[2-(4-fluoropiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide

6-fluoro-N-[2-(4-fluoropiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide (PubChem CID 162651840) has the molecular formula C24H33F2N5O2 and a molecular weight of 461.56 g/mol. Its IUPAC name is 6-fluoro-N-[2-(4-fluoropiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[2-(4-fluoropiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide
PubChem CID162651840
Molecular FormulaC24H33F2N5O2
Molecular Weight461.56 g/mol
Exact Mass461.26
IUPAC Name6-fluoro-N-[2-(4-fluoropiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide
SMILESO=C(NCCN1CCC(F)CC1)c1cc(NCCCN2CCOCC2)nc2ccc(F)cc12
InChIInChI=1S/C24H33F2N5O2/c25-18-4-9-31(10-5-18)11-7-28-24(32)21-17-23(29-22-3-2-19(26)16-20(21)22)27-6-1-8-30-12-14-33-15-13-30/h2-3,16-18H,1,4-15H2,(H,27,29)(H,28,32)
InChIKeyAUGMJLAYWIQFEG-UHFFFAOYSA-N
XLogP2.67
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 52.67
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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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-(4-fluoropiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide?
The IUPAC name of 6-fluoro-N-[2-(4-fluoropiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide (CID 162651840) is 6-fluoro-N-[2-(4-fluoropiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-[2-(4-fluoropiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-N-[2-(4-fluoropiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide is O=C(NCCN1CCC(F)CC1)c1cc(NCCCN2CCOCC2)nc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-N-[2-(4-fluoropiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide?
The InChIKey is AUGMJLAYWIQFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F2N5O2/c25-18-4-9-31(10-5-18)11-7-28-24(32)21-17-23(29-22-3-2-19(26)16-20(21)22)27-6-1-8-30-12-14-33-15-13-30/h2-3,16-18H,1,4-15H2,(H,27,29)(H,28,32).
What are the key properties of 6-fluoro-N-[2-(4-fluoropiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide?
6-fluoro-N-[2-(4-fluoropiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide has a molecular weight of 461.56 g/mol, XLogP of 2.67, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-(4-fluoropiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide is sourced from PubChem (CID 162651840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).