6-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]quinazolin-2-amine

C18H18FN3O — CID 68602769

IUPAC6-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]quinazolin-2-amine
SMILESCC(C)(C)Oc1nc(N)nc2ccc(-c3ccc(F)cc3)cc12
InChIInChI=1S/C18H18FN3O/c1-18(2,3)23-16-14-10-12(11-4-7-13(19)8-5-11)6-9-15(14)21-17(20)22-16/h4-10H,1-3H3,(H2,20,21,22)
InChIKeyPCKDMRCJDCJOEN-UHFFFAOYSA-N
MW311.36 g/mol
LogP4.20
Rot. Bonds2

About 6-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]quinazolin-2-amine

6-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]quinazolin-2-amine (PubChem CID 68602769) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]quinazolin-2-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]quinazolin-2-amine
PubChem CID68602769
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name6-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]quinazolin-2-amine
SMILESCC(C)(C)Oc1nc(N)nc2ccc(-c3ccc(F)cc3)cc12
InChIInChI=1S/C18H18FN3O/c1-18(2,3)23-16-14-10-12(11-4-7-13(19)8-5-11)6-9-15(14)21-17(20)22-16/h4-10H,1-3H3,(H2,20,21,22)
InChIKeyPCKDMRCJDCJOEN-UHFFFAOYSA-N
XLogP4.20
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]quinazolin-2-amine?
The IUPAC name of 6-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]quinazolin-2-amine (CID 68602769) is 6-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]quinazolin-2-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]quinazolin-2-amine?
The canonical SMILES for 6-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]quinazolin-2-amine is CC(C)(C)Oc1nc(N)nc2ccc(-c3ccc(F)cc3)cc12.
What is the InChIKey of 6-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]quinazolin-2-amine?
The InChIKey is PCKDMRCJDCJOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-18(2,3)23-16-14-10-12(11-4-7-13(19)8-5-11)6-9-15(14)21-17(20)22-16/h4-10H,1-3H3,(H2,20,21,22).
What are the key properties of 6-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]quinazolin-2-amine?
6-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]quinazolin-2-amine has a molecular weight of 311.36 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]quinazolin-2-amine is sourced from PubChem (CID 68602769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).