4-[[8-(4,4-difluorocyclohexyl)oxyquinazolin-2-yl]amino]cyclohexan-1-ol

C20H25F2N3O2 — CID 58082423

IUPAC4-[[8-(4,4-difluorocyclohexyl)oxyquinazolin-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ncc3cccc(OC4CCC(F)(F)CC4)c3n2)CC1
InChIInChI=1S/C20H25F2N3O2/c21-20(22)10-8-16(9-11-20)27-17-3-1-2-13-12-23-19(25-18(13)17)24-14-4-6-15(26)7-5-14/h1-3,12,14-16,26H,4-11H2,(H,23,24,25)
InChIKeyJQIKEWLTNHHTPZ-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.30
Rot. Bonds4

About 4-[[8-(4,4-difluorocyclohexyl)oxyquinazolin-2-yl]amino]cyclohexan-1-ol

4-[[8-(4,4-difluorocyclohexyl)oxyquinazolin-2-yl]amino]cyclohexan-1-ol (PubChem CID 58082423) has the molecular formula C20H25F2N3O2 and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-[[8-(4,4-difluorocyclohexyl)oxyquinazolin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[8-(4,4-difluorocyclohexyl)oxyquinazolin-2-yl]amino]cyclohexan-1-ol
PubChem CID58082423
Molecular FormulaC20H25F2N3O2
Molecular Weight377.44 g/mol
Exact Mass377.19
IUPAC Name4-[[8-(4,4-difluorocyclohexyl)oxyquinazolin-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ncc3cccc(OC4CCC(F)(F)CC4)c3n2)CC1
InChIInChI=1S/C20H25F2N3O2/c21-20(22)10-8-16(9-11-20)27-17-3-1-2-13-12-23-19(25-18(13)17)24-14-4-6-15(26)7-5-14/h1-3,12,14-16,26H,4-11H2,(H,23,24,25)
InChIKeyJQIKEWLTNHHTPZ-UHFFFAOYSA-N
XLogP4.30
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[8-(4,4-difluorocyclohexyl)oxyquinazolin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[8-(4,4-difluorocyclohexyl)oxyquinazolin-2-yl]amino]cyclohexan-1-ol (CID 58082423) is 4-[[8-(4,4-difluorocyclohexyl)oxyquinazolin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[8-(4,4-difluorocyclohexyl)oxyquinazolin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[8-(4,4-difluorocyclohexyl)oxyquinazolin-2-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2ncc3cccc(OC4CCC(F)(F)CC4)c3n2)CC1.
What is the InChIKey of 4-[[8-(4,4-difluorocyclohexyl)oxyquinazolin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is JQIKEWLTNHHTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N3O2/c21-20(22)10-8-16(9-11-20)27-17-3-1-2-13-12-23-19(25-18(13)17)24-14-4-6-15(26)7-5-14/h1-3,12,14-16,26H,4-11H2,(H,23,24,25).
What are the key properties of 4-[[8-(4,4-difluorocyclohexyl)oxyquinazolin-2-yl]amino]cyclohexan-1-ol?
4-[[8-(4,4-difluorocyclohexyl)oxyquinazolin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 377.44 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-(4,4-difluorocyclohexyl)oxyquinazolin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 58082423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).