3-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine

C23H18BrN5O — CID 2150159

IUPAC3-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
SMILESCOc1ccccc1CNc1nc2c(-c3cccc(Br)c3)nnn2c2ccccc12
InChIInChI=1S/C23H18BrN5O/c1-30-20-12-5-2-7-16(20)14-25-22-18-10-3-4-11-19(18)29-23(26-22)21(27-28-29)15-8-6-9-17(24)13-15/h2-13H,14H2,1H3,(H,25,26)
InChIKeyAKGWNZZFDLZPJR-UHFFFAOYSA-N
MW460.34 g/mol
LogP5.33
Rot. Bonds5

About 3-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine

3-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine (PubChem CID 2150159) has the molecular formula C23H18BrN5O and a molecular weight of 460.34 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
PubChem CID2150159
Molecular FormulaC23H18BrN5O
Molecular Weight460.34 g/mol
Exact Mass459.07
IUPAC Name3-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
SMILESCOc1ccccc1CNc1nc2c(-c3cccc(Br)c3)nnn2c2ccccc12
InChIInChI=1S/C23H18BrN5O/c1-30-20-12-5-2-7-16(20)14-25-22-18-10-3-4-11-19(18)29-23(26-22)21(27-28-29)15-8-6-9-17(24)13-15/h2-13H,14H2,1H3,(H,25,26)
InChIKeyAKGWNZZFDLZPJR-UHFFFAOYSA-N
XLogP5.33
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.34
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-bromophenyl)-N-(3-methoxypropyl)triazolo[1,5-a]quinazolin-5-amine
CID 2150160
3-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
CID 2135166
3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
CID 2140953
N-[(2-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 8850825
3-(3-chlorophenyl)-N-[(4-ethylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
CID 51365961
3-phenyl-N-(pyridin-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine
CID 53332806
N-[(4-chlorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine
CID 20874471
N-[2-[[3-(3-methylphenyl)triazolo[1,5-a]quinazolin-5-yl]amino]ethyl]acetamide
CID 2138544
N-benzyl-3-(4-chlorophenyl)triazolo[1,5-a]quinazolin-5-amine
CID 20874438
N-(3-ethoxypropyl)-3-phenyltriazolo[1,5-a]quinazolin-5-amine
CID 15945462
3-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
CID 51365925
N-[[(2S)-oxolan-2-yl]methyl]-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine
CID 92666906

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 3-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine (CID 2150159) is 3-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 3-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 3-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine is COc1ccccc1CNc1nc2c(-c3cccc(Br)c3)nnn2c2ccccc12.
What is the InChIKey of 3-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine?
The InChIKey is AKGWNZZFDLZPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN5O/c1-30-20-12-5-2-7-16(20)14-25-22-18-10-3-4-11-19(18)29-23(26-22)21(27-28-29)15-8-6-9-17(24)13-15/h2-13H,14H2,1H3,(H,25,26).
What are the key properties of 3-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine?
3-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine has a molecular weight of 460.34 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 2150159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).