2-(4-bromophenyl)-N-propan-2-ylquinazolin-4-amine

C17H16BrN3 — CID 869819

IUPAC2-(4-bromophenyl)-N-propan-2-ylquinazolin-4-amine
SMILESCC(C)Nc1nc(-c2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C17H16BrN3/c1-11(2)19-17-14-5-3-4-6-15(14)20-16(21-17)12-7-9-13(18)10-8-12/h3-11H,1-2H3,(H,19,20,21)
InChIKeyOAVMYWUQSMSXHI-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.88
Rot. Bonds3

About 2-(4-bromophenyl)-N-propan-2-ylquinazolin-4-amine

2-(4-bromophenyl)-N-propan-2-ylquinazolin-4-amine (PubChem CID 869819) has the molecular formula C17H16BrN3 and a molecular weight of 342.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-propan-2-ylquinazolin-4-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-propan-2-ylquinazolin-4-amine
PubChem CID869819
Molecular FormulaC17H16BrN3
Molecular Weight342.24 g/mol
Exact Mass341.05
IUPAC Name2-(4-bromophenyl)-N-propan-2-ylquinazolin-4-amine
SMILESCC(C)Nc1nc(-c2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C17H16BrN3/c1-11(2)19-17-14-5-3-4-6-15(14)20-16(21-17)12-7-9-13(18)10-8-12/h3-11H,1-2H3,(H,19,20,21)
InChIKeyOAVMYWUQSMSXHI-UHFFFAOYSA-N
XLogP4.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-propan-2-ylquinazolin-4-amine?
The IUPAC name of 2-(4-bromophenyl)-N-propan-2-ylquinazolin-4-amine (CID 869819) is 2-(4-bromophenyl)-N-propan-2-ylquinazolin-4-amine.
What is the SMILES notation for 2-(4-bromophenyl)-N-propan-2-ylquinazolin-4-amine?
The canonical SMILES for 2-(4-bromophenyl)-N-propan-2-ylquinazolin-4-amine is CC(C)Nc1nc(-c2ccc(Br)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-bromophenyl)-N-propan-2-ylquinazolin-4-amine?
The InChIKey is OAVMYWUQSMSXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3/c1-11(2)19-17-14-5-3-4-6-15(14)20-16(21-17)12-7-9-13(18)10-8-12/h3-11H,1-2H3,(H,19,20,21).
What are the key properties of 2-(4-bromophenyl)-N-propan-2-ylquinazolin-4-amine?
2-(4-bromophenyl)-N-propan-2-ylquinazolin-4-amine has a molecular weight of 342.24 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-propan-2-ylquinazolin-4-amine is sourced from PubChem (CID 869819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).