2-(4-bromo-2-chlorophenyl)quinazolin-4-amine

C14H9BrClN3 — CID 62175155

IUPAC2-(4-bromo-2-chlorophenyl)quinazolin-4-amine
SMILESNc1nc(-c2ccc(Br)cc2Cl)nc2ccccc12
InChIInChI=1S/C14H9BrClN3/c15-8-5-6-9(11(16)7-8)14-18-12-4-2-1-3-10(12)13(17)19-14/h1-7H,(H2,17,18,19)
InChIKeyRDPWMFZTSIHSKE-UHFFFAOYSA-N
MW334.60 g/mol
LogP4.29
Rot. Bonds1

About 2-(4-bromo-2-chlorophenyl)quinazolin-4-amine

2-(4-bromo-2-chlorophenyl)quinazolin-4-amine (PubChem CID 62175155) has the molecular formula C14H9BrClN3 and a molecular weight of 334.60 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)quinazolin-4-amine
PubChem CID62175155
Molecular FormulaC14H9BrClN3
Molecular Weight334.60 g/mol
Exact Mass332.97
IUPAC Name2-(4-bromo-2-chlorophenyl)quinazolin-4-amine
SMILESNc1nc(-c2ccc(Br)cc2Cl)nc2ccccc12
InChIInChI=1S/C14H9BrClN3/c15-8-5-6-9(11(16)7-8)14-18-12-4-2-1-3-10(12)13(17)19-14/h1-7H,(H2,17,18,19)
InChIKeyRDPWMFZTSIHSKE-UHFFFAOYSA-N
XLogP4.29
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.60
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)quinazolin-4-amine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)quinazolin-4-amine (CID 62175155) is 2-(4-bromo-2-chlorophenyl)quinazolin-4-amine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)quinazolin-4-amine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)quinazolin-4-amine is Nc1nc(-c2ccc(Br)cc2Cl)nc2ccccc12.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)quinazolin-4-amine?
The InChIKey is RDPWMFZTSIHSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN3/c15-8-5-6-9(11(16)7-8)14-18-12-4-2-1-3-10(12)13(17)19-14/h1-7H,(H2,17,18,19).
What are the key properties of 2-(4-bromo-2-chlorophenyl)quinazolin-4-amine?
2-(4-bromo-2-chlorophenyl)quinazolin-4-amine has a molecular weight of 334.60 g/mol, XLogP of 4.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)quinazolin-4-amine is sourced from PubChem (CID 62175155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).