2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)quinazolin-4-amine

C18H17N3O — CID 139991861

IUPAC2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)quinazolin-4-amine
SMILESNc1nc(Oc2ccc3c(c2)CCCC3)nc2ccccc12
InChIInChI=1S/C18H17N3O/c19-17-15-7-3-4-8-16(15)20-18(21-17)22-14-10-9-12-5-1-2-6-13(12)11-14/h3-4,7-11H,1-2,5-6H2,(H2,19,20,21)
InChIKeyDONKSFXBOJIJIW-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.88
Rot. Bonds2

About 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)quinazolin-4-amine

2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)quinazolin-4-amine (PubChem CID 139991861) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)quinazolin-4-amine.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)quinazolin-4-amine
PubChem CID139991861
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)quinazolin-4-amine
SMILESNc1nc(Oc2ccc3c(c2)CCCC3)nc2ccccc12
InChIInChI=1S/C18H17N3O/c19-17-15-7-3-4-8-16(15)20-18(21-17)22-14-10-9-12-5-1-2-6-13(12)11-14/h3-4,7-11H,1-2,5-6H2,(H2,19,20,21)
InChIKeyDONKSFXBOJIJIW-UHFFFAOYSA-N
XLogP3.88
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)quinazolin-4-amine?
The IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)quinazolin-4-amine (CID 139991861) is 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)quinazolin-4-amine.
What is the SMILES notation for 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)quinazolin-4-amine?
The canonical SMILES for 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)quinazolin-4-amine is Nc1nc(Oc2ccc3c(c2)CCCC3)nc2ccccc12.
What is the InChIKey of 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)quinazolin-4-amine?
The InChIKey is DONKSFXBOJIJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c19-17-15-7-3-4-8-16(15)20-18(21-17)22-14-10-9-12-5-1-2-6-13(12)11-14/h3-4,7-11H,1-2,5-6H2,(H2,19,20,21).
What are the key properties of 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)quinazolin-4-amine?
2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)quinazolin-4-amine has a molecular weight of 291.35 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)quinazolin-4-amine is sourced from PubChem (CID 139991861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).