N-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)triazolo[1,5-a]quinazolin-5-amine

C22H15BrClN5 — CID 51365982

IUPACN-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)triazolo[1,5-a]quinazolin-5-amine
SMILESClc1cccc(-c2nnn3c2nc(NCc2ccc(Br)cc2)c2ccccc23)c1
InChIInChI=1S/C22H15BrClN5/c23-16-10-8-14(9-11-16)13-25-21-18-6-1-2-7-19(18)29-22(26-21)20(27-28-29)15-4-3-5-17(24)12-15/h1-12H,13H2,(H,25,26)
InChIKeyUCZTWQWOBSQCQK-UHFFFAOYSA-N
MW464.75 g/mol
LogP5.97
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)triazolo[1,5-a]quinazolin-5-amine

N-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)triazolo[1,5-a]quinazolin-5-amine (PubChem CID 51365982) has the molecular formula C22H15BrClN5 and a molecular weight of 464.75 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)triazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)triazolo[1,5-a]quinazolin-5-amine
PubChem CID51365982
Molecular FormulaC22H15BrClN5
Molecular Weight464.75 g/mol
Exact Mass463.02
IUPAC NameN-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)triazolo[1,5-a]quinazolin-5-amine
SMILESClc1cccc(-c2nnn3c2nc(NCc2ccc(Br)cc2)c2ccccc23)c1
InChIInChI=1S/C22H15BrClN5/c23-16-10-8-14(9-11-16)13-25-21-18-6-1-2-7-19(18)29-22(26-21)20(27-28-29)15-4-3-5-17(24)12-15/h1-12H,13H2,(H,25,26)
InChIKeyUCZTWQWOBSQCQK-UHFFFAOYSA-N
XLogP5.97
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.75
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)triazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)triazolo[1,5-a]quinazolin-5-amine (CID 51365982) is N-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)triazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)triazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)triazolo[1,5-a]quinazolin-5-amine is Clc1cccc(-c2nnn3c2nc(NCc2ccc(Br)cc2)c2ccccc23)c1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)triazolo[1,5-a]quinazolin-5-amine?
The InChIKey is UCZTWQWOBSQCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrClN5/c23-16-10-8-14(9-11-16)13-25-21-18-6-1-2-7-19(18)29-22(26-21)20(27-28-29)15-4-3-5-17(24)12-15/h1-12H,13H2,(H,25,26).
What are the key properties of N-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)triazolo[1,5-a]quinazolin-5-amine?
N-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)triazolo[1,5-a]quinazolin-5-amine has a molecular weight of 464.75 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)triazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 51365982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).