2-[4-[(7-fluoroquinolin-4-yl)amino]pentyl-(1,3-oxazol-2-ylmethyl)amino]ethanol

C20H25FN4O2 — CID 167200255

IUPAC2-[4-[(7-fluoroquinolin-4-yl)amino]pentyl-(1,3-oxazol-2-ylmethyl)amino]ethanol
SMILESCC(CCCN(CCO)Cc1ncco1)Nc1ccnc2cc(F)ccc12
InChIInChI=1S/C20H25FN4O2/c1-15(3-2-9-25(10-11-26)14-20-23-8-12-27-20)24-18-6-7-22-19-13-16(21)4-5-17(18)19/h4-8,12-13,15,26H,2-3,9-11,14H2,1H3,(H,22,24)
InChIKeyXONRPTABZJOGSU-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.44
Rot. Bonds10

About 2-[4-[(7-fluoroquinolin-4-yl)amino]pentyl-(1,3-oxazol-2-ylmethyl)amino]ethanol

2-[4-[(7-fluoroquinolin-4-yl)amino]pentyl-(1,3-oxazol-2-ylmethyl)amino]ethanol (PubChem CID 167200255) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-[4-[(7-fluoroquinolin-4-yl)amino]pentyl-(1,3-oxazol-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[4-[(7-fluoroquinolin-4-yl)amino]pentyl-(1,3-oxazol-2-ylmethyl)amino]ethanol
PubChem CID167200255
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name2-[4-[(7-fluoroquinolin-4-yl)amino]pentyl-(1,3-oxazol-2-ylmethyl)amino]ethanol
SMILESCC(CCCN(CCO)Cc1ncco1)Nc1ccnc2cc(F)ccc12
InChIInChI=1S/C20H25FN4O2/c1-15(3-2-9-25(10-11-26)14-20-23-8-12-27-20)24-18-6-7-22-19-13-16(21)4-5-17(18)19/h4-8,12-13,15,26H,2-3,9-11,14H2,1H3,(H,22,24)
InChIKeyXONRPTABZJOGSU-UHFFFAOYSA-N
XLogP3.44
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(7-fluoroquinolin-4-yl)amino]pentyl-(1,3-oxazol-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[4-[(7-fluoroquinolin-4-yl)amino]pentyl-(1,3-oxazol-2-ylmethyl)amino]ethanol (CID 167200255) is 2-[4-[(7-fluoroquinolin-4-yl)amino]pentyl-(1,3-oxazol-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[4-[(7-fluoroquinolin-4-yl)amino]pentyl-(1,3-oxazol-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[4-[(7-fluoroquinolin-4-yl)amino]pentyl-(1,3-oxazol-2-ylmethyl)amino]ethanol is CC(CCCN(CCO)Cc1ncco1)Nc1ccnc2cc(F)ccc12.
What is the InChIKey of 2-[4-[(7-fluoroquinolin-4-yl)amino]pentyl-(1,3-oxazol-2-ylmethyl)amino]ethanol?
The InChIKey is XONRPTABZJOGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-15(3-2-9-25(10-11-26)14-20-23-8-12-27-20)24-18-6-7-22-19-13-16(21)4-5-17(18)19/h4-8,12-13,15,26H,2-3,9-11,14H2,1H3,(H,22,24).
What are the key properties of 2-[4-[(7-fluoroquinolin-4-yl)amino]pentyl-(1,3-oxazol-2-ylmethyl)amino]ethanol?
2-[4-[(7-fluoroquinolin-4-yl)amino]pentyl-(1,3-oxazol-2-ylmethyl)amino]ethanol has a molecular weight of 372.44 g/mol, XLogP of 3.44, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(7-fluoroquinolin-4-yl)amino]pentyl-(1,3-oxazol-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 167200255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).