2-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol

C14H16FN3O — CID 56788040

IUPAC2-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol
SMILESOC1CCCCC1Nc1ncnc2cccc(F)c12
InChIInChI=1S/C14H16FN3O/c15-9-4-3-6-11-13(9)14(17-8-16-11)18-10-5-1-2-7-12(10)19/h3-4,6,8,10,12,19H,1-2,5,7H2,(H,16,17,18)
InChIKeyXEHCPVQWEOQOEQ-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.48
Rot. Bonds2

About 2-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol

2-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol (PubChem CID 56788040) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol
PubChem CID56788040
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name2-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol
SMILESOC1CCCCC1Nc1ncnc2cccc(F)c12
InChIInChI=1S/C14H16FN3O/c15-9-4-3-6-11-13(9)14(17-8-16-11)18-10-5-1-2-7-12(10)19/h3-4,6,8,10,12,19H,1-2,5,7H2,(H,16,17,18)
InChIKeyXEHCPVQWEOQOEQ-UHFFFAOYSA-N
XLogP2.48
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol (CID 56788040) is 2-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol is OC1CCCCC1Nc1ncnc2cccc(F)c12.
What is the InChIKey of 2-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is XEHCPVQWEOQOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-9-4-3-6-11-13(9)14(17-8-16-11)18-10-5-1-2-7-12(10)19/h3-4,6,8,10,12,19H,1-2,5,7H2,(H,16,17,18).
What are the key properties of 2-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol?
2-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol has a molecular weight of 261.30 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 56788040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).