3-fluoro-5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]phenol

C24H27FN4O2 — CID 130446824

IUPAC3-fluoro-5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]phenol
SMILESOc1cc(F)cc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)c1
InChIInChI=1S/C24H27FN4O2/c25-18-11-17(12-21(30)14-18)16-1-6-23-22(13-16)24(27-15-26-23)28-19-2-4-20(5-3-19)29-7-9-31-10-8-29/h1,6,11-15,19-20,30H,2-5,7-10H2,(H,26,27,28)
InChIKeyVZMGRASFXPEYDC-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.20
Rot. Bonds4

About 3-fluoro-5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]phenol

3-fluoro-5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]phenol (PubChem CID 130446824) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is 3-fluoro-5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]phenol
PubChem CID130446824
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC Name3-fluoro-5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]phenol
SMILESOc1cc(F)cc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)c1
InChIInChI=1S/C24H27FN4O2/c25-18-11-17(12-21(30)14-18)16-1-6-23-22(13-16)24(27-15-26-23)28-19-2-4-20(5-3-19)29-7-9-31-10-8-29/h1,6,11-15,19-20,30H,2-5,7-10H2,(H,26,27,28)
InChIKeyVZMGRASFXPEYDC-UHFFFAOYSA-N
XLogP4.20
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]phenol?
The IUPAC name of 3-fluoro-5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]phenol (CID 130446824) is 3-fluoro-5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]phenol.
What is the SMILES notation for 3-fluoro-5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]phenol?
The canonical SMILES for 3-fluoro-5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]phenol is Oc1cc(F)cc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)c1.
What is the InChIKey of 3-fluoro-5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]phenol?
The InChIKey is VZMGRASFXPEYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c25-18-11-17(12-21(30)14-18)16-1-6-23-22(13-16)24(27-15-26-23)28-19-2-4-20(5-3-19)29-7-9-31-10-8-29/h1,6,11-15,19-20,30H,2-5,7-10H2,(H,26,27,28).
What are the key properties of 3-fluoro-5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]phenol?
3-fluoro-5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]phenol has a molecular weight of 422.50 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]phenol is sourced from PubChem (CID 130446824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).