6-bromo-N-(4-propan-2-yloxyphenyl)quinazolin-4-amine

C17H16BrN3O — CID 1189446

IUPAC6-bromo-N-(4-propan-2-yloxyphenyl)quinazolin-4-amine
SMILESCC(C)Oc1ccc(Nc2ncnc3ccc(Br)cc23)cc1
InChIInChI=1S/C17H16BrN3O/c1-11(2)22-14-6-4-13(5-7-14)21-17-15-9-12(18)3-8-16(15)19-10-20-17/h3-11H,1-2H3,(H,19,20,21)
InChIKeyKVAYUCBZMICZAV-UHFFFAOYSA-N
MW358.24 g/mol
LogP4.92
Rot. Bonds4

About 6-bromo-N-(4-propan-2-yloxyphenyl)quinazolin-4-amine

6-bromo-N-(4-propan-2-yloxyphenyl)quinazolin-4-amine (PubChem CID 1189446) has the molecular formula C17H16BrN3O and a molecular weight of 358.24 g/mol. Its IUPAC name is 6-bromo-N-(4-propan-2-yloxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(4-propan-2-yloxyphenyl)quinazolin-4-amine
PubChem CID1189446
Molecular FormulaC17H16BrN3O
Molecular Weight358.24 g/mol
Exact Mass357.05
IUPAC Name6-bromo-N-(4-propan-2-yloxyphenyl)quinazolin-4-amine
SMILESCC(C)Oc1ccc(Nc2ncnc3ccc(Br)cc23)cc1
InChIInChI=1S/C17H16BrN3O/c1-11(2)22-14-6-4-13(5-7-14)21-17-15-9-12(18)3-8-16(15)19-10-20-17/h3-11H,1-2H3,(H,19,20,21)
InChIKeyKVAYUCBZMICZAV-UHFFFAOYSA-N
XLogP4.92
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-propan-2-yloxyphenyl)quinazolin-4-amine?
The IUPAC name of 6-bromo-N-(4-propan-2-yloxyphenyl)quinazolin-4-amine (CID 1189446) is 6-bromo-N-(4-propan-2-yloxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-(4-propan-2-yloxyphenyl)quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-(4-propan-2-yloxyphenyl)quinazolin-4-amine is CC(C)Oc1ccc(Nc2ncnc3ccc(Br)cc23)cc1.
What is the InChIKey of 6-bromo-N-(4-propan-2-yloxyphenyl)quinazolin-4-amine?
The InChIKey is KVAYUCBZMICZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O/c1-11(2)22-14-6-4-13(5-7-14)21-17-15-9-12(18)3-8-16(15)19-10-20-17/h3-11H,1-2H3,(H,19,20,21).
What are the key properties of 6-bromo-N-(4-propan-2-yloxyphenyl)quinazolin-4-amine?
6-bromo-N-(4-propan-2-yloxyphenyl)quinazolin-4-amine has a molecular weight of 358.24 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-propan-2-yloxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 1189446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).