4-[[6-(2,4-difluorophenoxy)quinazolin-2-yl]amino]cyclohexan-1-ol

C20H19F2N3O2 — CID 24877307

IUPAC4-[[6-(2,4-difluorophenoxy)quinazolin-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ncc3cc(Oc4ccc(F)cc4F)ccc3n2)CC1
InChIInChI=1S/C20H19F2N3O2/c21-13-1-8-19(17(22)10-13)27-16-6-7-18-12(9-16)11-23-20(25-18)24-14-2-4-15(26)5-3-14/h1,6-11,14-15,26H,2-5H2,(H,23,24,25)
InChIKeyXMWJUUQCEQEIKY-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.42
Rot. Bonds4

About 4-[[6-(2,4-difluorophenoxy)quinazolin-2-yl]amino]cyclohexan-1-ol

4-[[6-(2,4-difluorophenoxy)quinazolin-2-yl]amino]cyclohexan-1-ol (PubChem CID 24877307) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is 4-[[6-(2,4-difluorophenoxy)quinazolin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[6-(2,4-difluorophenoxy)quinazolin-2-yl]amino]cyclohexan-1-ol
PubChem CID24877307
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name4-[[6-(2,4-difluorophenoxy)quinazolin-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ncc3cc(Oc4ccc(F)cc4F)ccc3n2)CC1
InChIInChI=1S/C20H19F2N3O2/c21-13-1-8-19(17(22)10-13)27-16-6-7-18-12(9-16)11-23-20(25-18)24-14-2-4-15(26)5-3-14/h1,6-11,14-15,26H,2-5H2,(H,23,24,25)
InChIKeyXMWJUUQCEQEIKY-UHFFFAOYSA-N
XLogP4.42
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[6-(2,4-difluorophenoxy)quinazolin-2-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

6-(2,4-difluorophenoxy)-N-(4-methylsulfonylcyclohexyl)quinazolin-2-amine
CID 58905139
6-(2,4-difluorophenoxy)-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 11428301
4-[(7-phenoxyquinazolin-2-yl)amino]cyclohexan-1-ol
CID 58082649
3-(2,4-difluorophenoxy)-7-[(4-hydroxycyclohexyl)amino]-1-methyl-1,6-naphthyridin-2-one
CID 20626844
4-[[7-[2-(dimethylamino)ethoxy]quinazolin-2-yl]amino]cyclohexan-1-ol
CID 58082320
4-[[6-(2-methylphenyl)quinazolin-2-yl]amino]cyclohexan-1-ol
CID 58829507
4-[2-(cyclopentylamino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 42642424
6-(2,4-difluorophenoxy)-8-[(2S)-2,3-dihydroxypropyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 52937241
4-(5H-pyrrolo[3,2-d]pyrimidin-2-ylamino)cyclohexan-1-ol
CID 170573052
1-tert-butyl-3-[6-(2,4-difluorophenoxy)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-yl]urea
CID 23434562
4-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]quinazolin-2-yl]amino]cyclohexan-1-ol
CID 58082266
N-[5-[[6-(2,4-difluorophenoxy)quinazolin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide
CID 155680315

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(2,4-difluorophenoxy)quinazolin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[6-(2,4-difluorophenoxy)quinazolin-2-yl]amino]cyclohexan-1-ol (CID 24877307) is 4-[[6-(2,4-difluorophenoxy)quinazolin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[6-(2,4-difluorophenoxy)quinazolin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[6-(2,4-difluorophenoxy)quinazolin-2-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2ncc3cc(Oc4ccc(F)cc4F)ccc3n2)CC1.
What is the InChIKey of 4-[[6-(2,4-difluorophenoxy)quinazolin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is XMWJUUQCEQEIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c21-13-1-8-19(17(22)10-13)27-16-6-7-18-12(9-16)11-23-20(25-18)24-14-2-4-15(26)5-3-14/h1,6-11,14-15,26H,2-5H2,(H,23,24,25).
What are the key properties of 4-[[6-(2,4-difluorophenoxy)quinazolin-2-yl]amino]cyclohexan-1-ol?
4-[[6-(2,4-difluorophenoxy)quinazolin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 371.39 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(2,4-difluorophenoxy)quinazolin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 24877307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).