N-(3,5-difluorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine

C22H24F2N4O — CID 67102049

IUPACN-(3,5-difluorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
SMILESCC(C)N1CCC(Oc2cccc3cnc(Nc4cc(F)cc(F)c4)nc23)CC1
InChIInChI=1S/C22H24F2N4O/c1-14(2)28-8-6-19(7-9-28)29-20-5-3-4-15-13-25-22(27-21(15)20)26-18-11-16(23)10-17(24)12-18/h3-5,10-14,19H,6-9H2,1-2H3,(H,25,26,27)
InChIKeyZBIFZJIELBMEOU-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.90
Rot. Bonds5

About N-(3,5-difluorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine

N-(3,5-difluorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine (PubChem CID 67102049) has the molecular formula C22H24F2N4O and a molecular weight of 398.46 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
PubChem CID67102049
Molecular FormulaC22H24F2N4O
Molecular Weight398.46 g/mol
Exact Mass398.19
IUPAC NameN-(3,5-difluorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
SMILESCC(C)N1CCC(Oc2cccc3cnc(Nc4cc(F)cc(F)c4)nc23)CC1
InChIInChI=1S/C22H24F2N4O/c1-14(2)28-8-6-19(7-9-28)29-20-5-3-4-15-13-25-22(27-21(15)20)26-18-11-16(23)10-17(24)12-18/h3-5,10-14,19H,6-9H2,1-2H3,(H,25,26,27)
InChIKeyZBIFZJIELBMEOU-UHFFFAOYSA-N
XLogP4.90
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine?
The IUPAC name of N-(3,5-difluorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine (CID 67102049) is N-(3,5-difluorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine.
What is the SMILES notation for N-(3,5-difluorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine?
The canonical SMILES for N-(3,5-difluorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine is CC(C)N1CCC(Oc2cccc3cnc(Nc4cc(F)cc(F)c4)nc23)CC1.
What is the InChIKey of N-(3,5-difluorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine?
The InChIKey is ZBIFZJIELBMEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O/c1-14(2)28-8-6-19(7-9-28)29-20-5-3-4-15-13-25-22(27-21(15)20)26-18-11-16(23)10-17(24)12-18/h3-5,10-14,19H,6-9H2,1-2H3,(H,25,26,27).
What are the key properties of N-(3,5-difluorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine?
N-(3,5-difluorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine has a molecular weight of 398.46 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine is sourced from PubChem (CID 67102049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).