6-cyclobutyl-N-(4-phenoxyphenyl)quinazolin-2-amine

C24H21N3O — CID 90936234

IUPAC6-cyclobutyl-N-(4-phenoxyphenyl)quinazolin-2-amine
SMILESc1ccc(Oc2ccc(Nc3ncc4cc(C5CCC5)ccc4n3)cc2)cc1
InChIInChI=1S/C24H21N3O/c1-2-7-21(8-3-1)28-22-12-10-20(11-13-22)26-24-25-16-19-15-18(17-5-4-6-17)9-14-23(19)27-24/h1-3,7-17H,4-6H2,(H,25,26,27)
InChIKeyCENHJAADESPMHW-UHFFFAOYSA-N
MW367.45 g/mol
LogP6.43
Rot. Bonds5

About 6-cyclobutyl-N-(4-phenoxyphenyl)quinazolin-2-amine

6-cyclobutyl-N-(4-phenoxyphenyl)quinazolin-2-amine (PubChem CID 90936234) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is 6-cyclobutyl-N-(4-phenoxyphenyl)quinazolin-2-amine.

Molecular Properties

Compound Name6-cyclobutyl-N-(4-phenoxyphenyl)quinazolin-2-amine
PubChem CID90936234
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name6-cyclobutyl-N-(4-phenoxyphenyl)quinazolin-2-amine
SMILESc1ccc(Oc2ccc(Nc3ncc4cc(C5CCC5)ccc4n3)cc2)cc1
InChIInChI=1S/C24H21N3O/c1-2-7-21(8-3-1)28-22-12-10-20(11-13-22)26-24-25-16-19-15-18(17-5-4-6-17)9-14-23(19)27-24/h1-3,7-17H,4-6H2,(H,25,26,27)
InChIKeyCENHJAADESPMHW-UHFFFAOYSA-N
XLogP6.43
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-N-(4-phenoxyphenyl)quinazolin-2-amine?
The IUPAC name of 6-cyclobutyl-N-(4-phenoxyphenyl)quinazolin-2-amine (CID 90936234) is 6-cyclobutyl-N-(4-phenoxyphenyl)quinazolin-2-amine.
What is the SMILES notation for 6-cyclobutyl-N-(4-phenoxyphenyl)quinazolin-2-amine?
The canonical SMILES for 6-cyclobutyl-N-(4-phenoxyphenyl)quinazolin-2-amine is c1ccc(Oc2ccc(Nc3ncc4cc(C5CCC5)ccc4n3)cc2)cc1.
What is the InChIKey of 6-cyclobutyl-N-(4-phenoxyphenyl)quinazolin-2-amine?
The InChIKey is CENHJAADESPMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c1-2-7-21(8-3-1)28-22-12-10-20(11-13-22)26-24-25-16-19-15-18(17-5-4-6-17)9-14-23(19)27-24/h1-3,7-17H,4-6H2,(H,25,26,27).
What are the key properties of 6-cyclobutyl-N-(4-phenoxyphenyl)quinazolin-2-amine?
6-cyclobutyl-N-(4-phenoxyphenyl)quinazolin-2-amine has a molecular weight of 367.45 g/mol, XLogP of 6.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-N-(4-phenoxyphenyl)quinazolin-2-amine is sourced from PubChem (CID 90936234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).