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

C23H18FN5O — CID 2140953

IUPAC3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
SMILESCOc1cccc(CNc2nc3c(-c4cccc(F)c4)nnn3c3ccccc23)c1
InChIInChI=1S/C23H18FN5O/c1-30-18-9-4-6-15(12-18)14-25-22-19-10-2-3-11-20(19)29-23(26-22)21(27-28-29)16-7-5-8-17(24)13-16/h2-13H,14H2,1H3,(H,25,26)
InChIKeySAWMTJHXSDTQTF-UHFFFAOYSA-N
MW399.43 g/mol
LogP4.70
Rot. Bonds5

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

3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine (PubChem CID 2140953) has the molecular formula C23H18FN5O and a molecular weight of 399.43 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
PubChem CID2140953
Molecular FormulaC23H18FN5O
Molecular Weight399.43 g/mol
Exact Mass399.15
IUPAC Name3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
SMILESCOc1cccc(CNc2nc3c(-c4cccc(F)c4)nnn3c3ccccc23)c1
InChIInChI=1S/C23H18FN5O/c1-30-18-9-4-6-15(12-18)14-25-22-19-10-2-3-11-20(19)29-23(26-22)21(27-28-29)16-7-5-8-17(24)13-16/h2-13H,14H2,1H3,(H,25,26)
InChIKeySAWMTJHXSDTQTF-UHFFFAOYSA-N
XLogP4.70
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine (CID 2140953) is 3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine is COc1cccc(CNc2nc3c(-c4cccc(F)c4)nnn3c3ccccc23)c1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine?
The InChIKey is SAWMTJHXSDTQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O/c1-30-18-9-4-6-15(12-18)14-25-22-19-10-2-3-11-20(19)29-23(26-22)21(27-28-29)16-7-5-8-17(24)13-16/h2-13H,14H2,1H3,(H,25,26).
What are the key properties of 3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine?
3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine has a molecular weight of 399.43 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 2140953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).