6-bromo-N-[2-(4-chlorophenyl)ethyl]quinazolin-4-amine

C16H13BrClN3 — CID 24742058

IUPAC6-bromo-N-[2-(4-chlorophenyl)ethyl]quinazolin-4-amine
SMILESClc1ccc(CCNc2ncnc3ccc(Br)cc23)cc1
InChIInChI=1S/C16H13BrClN3/c17-12-3-6-15-14(9-12)16(21-10-20-15)19-8-7-11-1-4-13(18)5-2-11/h1-6,9-10H,7-8H2,(H,19,20,21)
InChIKeyCYHYRQVOQVBQSD-UHFFFAOYSA-N
MW362.66 g/mol
LogP4.70
Rot. Bonds4

About 6-bromo-N-[2-(4-chlorophenyl)ethyl]quinazolin-4-amine

6-bromo-N-[2-(4-chlorophenyl)ethyl]quinazolin-4-amine (PubChem CID 24742058) has the molecular formula C16H13BrClN3 and a molecular weight of 362.66 g/mol. Its IUPAC name is 6-bromo-N-[2-(4-chlorophenyl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[2-(4-chlorophenyl)ethyl]quinazolin-4-amine
PubChem CID24742058
Molecular FormulaC16H13BrClN3
Molecular Weight362.66 g/mol
Exact Mass361.00
IUPAC Name6-bromo-N-[2-(4-chlorophenyl)ethyl]quinazolin-4-amine
SMILESClc1ccc(CCNc2ncnc3ccc(Br)cc23)cc1
InChIInChI=1S/C16H13BrClN3/c17-12-3-6-15-14(9-12)16(21-10-20-15)19-8-7-11-1-4-13(18)5-2-11/h1-6,9-10H,7-8H2,(H,19,20,21)
InChIKeyCYHYRQVOQVBQSD-UHFFFAOYSA-N
XLogP4.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.66
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(4-chlorophenyl)ethyl]quinazolin-4-amine?
The IUPAC name of 6-bromo-N-[2-(4-chlorophenyl)ethyl]quinazolin-4-amine (CID 24742058) is 6-bromo-N-[2-(4-chlorophenyl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-[2-(4-chlorophenyl)ethyl]quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-[2-(4-chlorophenyl)ethyl]quinazolin-4-amine is Clc1ccc(CCNc2ncnc3ccc(Br)cc23)cc1.
What is the InChIKey of 6-bromo-N-[2-(4-chlorophenyl)ethyl]quinazolin-4-amine?
The InChIKey is CYHYRQVOQVBQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN3/c17-12-3-6-15-14(9-12)16(21-10-20-15)19-8-7-11-1-4-13(18)5-2-11/h1-6,9-10H,7-8H2,(H,19,20,21).
What are the key properties of 6-bromo-N-[2-(4-chlorophenyl)ethyl]quinazolin-4-amine?
6-bromo-N-[2-(4-chlorophenyl)ethyl]quinazolin-4-amine has a molecular weight of 362.66 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(4-chlorophenyl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 24742058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).