6-(3-methylphenoxy)-3-propyl-4H-quinazolin-2-amine

C18H21N3O — CID 163562006

IUPAC6-(3-methylphenoxy)-3-propyl-4H-quinazolin-2-amine
SMILESCCCN1Cc2cc(Oc3cccc(C)c3)ccc2N=C1N
InChIInChI=1S/C18H21N3O/c1-3-9-21-12-14-11-16(7-8-17(14)20-18(21)19)22-15-6-4-5-13(2)10-15/h4-8,10-11H,3,9,12H2,1-2H3,(H2,19,20)
InChIKeyFRZTWGIKVPJJSN-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.96
Rot. Bonds4

About 6-(3-methylphenoxy)-3-propyl-4H-quinazolin-2-amine

6-(3-methylphenoxy)-3-propyl-4H-quinazolin-2-amine (PubChem CID 163562006) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 6-(3-methylphenoxy)-3-propyl-4H-quinazolin-2-amine.

Molecular Properties

Compound Name6-(3-methylphenoxy)-3-propyl-4H-quinazolin-2-amine
PubChem CID163562006
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name6-(3-methylphenoxy)-3-propyl-4H-quinazolin-2-amine
SMILESCCCN1Cc2cc(Oc3cccc(C)c3)ccc2N=C1N
InChIInChI=1S/C18H21N3O/c1-3-9-21-12-14-11-16(7-8-17(14)20-18(21)19)22-15-6-4-5-13(2)10-15/h4-8,10-11H,3,9,12H2,1-2H3,(H2,19,20)
InChIKeyFRZTWGIKVPJJSN-UHFFFAOYSA-N
XLogP3.96
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylphenoxy)-3-propyl-4H-quinazolin-2-amine?
The IUPAC name of 6-(3-methylphenoxy)-3-propyl-4H-quinazolin-2-amine (CID 163562006) is 6-(3-methylphenoxy)-3-propyl-4H-quinazolin-2-amine.
What is the SMILES notation for 6-(3-methylphenoxy)-3-propyl-4H-quinazolin-2-amine?
The canonical SMILES for 6-(3-methylphenoxy)-3-propyl-4H-quinazolin-2-amine is CCCN1Cc2cc(Oc3cccc(C)c3)ccc2N=C1N.
What is the InChIKey of 6-(3-methylphenoxy)-3-propyl-4H-quinazolin-2-amine?
The InChIKey is FRZTWGIKVPJJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-3-9-21-12-14-11-16(7-8-17(14)20-18(21)19)22-15-6-4-5-13(2)10-15/h4-8,10-11H,3,9,12H2,1-2H3,(H2,19,20).
What are the key properties of 6-(3-methylphenoxy)-3-propyl-4H-quinazolin-2-amine?
6-(3-methylphenoxy)-3-propyl-4H-quinazolin-2-amine has a molecular weight of 295.39 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylphenoxy)-3-propyl-4H-quinazolin-2-amine is sourced from PubChem (CID 163562006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).