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

C14H16FN3O — CID 56816066

IUPAC4-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ncnc3cccc(F)c23)CC1
InChIInChI=1S/C14H16FN3O/c15-11-2-1-3-12-13(11)14(17-8-16-12)18-9-4-6-10(19)7-5-9/h1-3,8-10,19H,4-7H2,(H,16,17,18)
InChIKeyNFGCGGGEPNNMEW-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.48
Rot. Bonds2

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

4-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol (PubChem CID 56816066) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol
PubChem CID56816066
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name4-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ncnc3cccc(F)c23)CC1
InChIInChI=1S/C14H16FN3O/c15-11-2-1-3-12-13(11)14(17-8-16-12)18-9-4-6-10(19)7-5-9/h1-3,8-10,19H,4-7H2,(H,16,17,18)
InChIKeyNFGCGGGEPNNMEW-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 4-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol (CID 56816066) is 4-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol is OC1CCC(Nc2ncnc3cccc(F)c23)CC1.
What is the InChIKey of 4-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is NFGCGGGEPNNMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-11-2-1-3-12-13(11)14(17-8-16-12)18-9-4-6-10(19)7-5-9/h1-3,8-10,19H,4-7H2,(H,16,17,18).
What are the key properties of 4-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol?
4-[(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 4-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 56816066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).