N-[3-(2-fluorophenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

C22H16FN5 — CID 156536397

IUPACN-[3-(2-fluorophenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCN(c1cccc(-c2ccccc2F)c1)c1nc2nncn2c2ccccc12
InChIInChI=1S/C22H16FN5/c1-27(16-8-6-7-15(13-16)17-9-2-4-11-19(17)23)21-18-10-3-5-12-20(18)28-14-24-26-22(28)25-21/h2-14H,1H3
InChIKeyNJHLRYOIJXQJQE-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.85
Rot. Bonds3

About N-[3-(2-fluorophenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

N-[3-(2-fluorophenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (PubChem CID 156536397) has the molecular formula C22H16FN5 and a molecular weight of 369.40 g/mol. Its IUPAC name is N-[3-(2-fluorophenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-[3-(2-fluorophenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
PubChem CID156536397
Molecular FormulaC22H16FN5
Molecular Weight369.40 g/mol
Exact Mass369.14
IUPAC NameN-[3-(2-fluorophenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCN(c1cccc(-c2ccccc2F)c1)c1nc2nncn2c2ccccc12
InChIInChI=1S/C22H16FN5/c1-27(16-8-6-7-15(13-16)17-9-2-4-11-19(17)23)21-18-10-3-5-12-20(18)28-14-24-26-22(28)25-21/h2-14H,1H3
InChIKeyNJHLRYOIJXQJQE-UHFFFAOYSA-N
XLogP4.85
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Phenyl-4-(1,2,4-Triazol-4-Yl)quinazoline
CID 17436861
(1-Benzyl-1H-indol-5-yl)-quinazolin-4-yl-amine
CID 44279279
7-[(2-Fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 85934126
7-Benzylpyrrolo[3,2-f]quinazoline-1,3-diamine
CID 463795
7-(Naphthalen-1-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 21783605
7-[(4-Methylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 44383301
7-[(3-Fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 44531723
7-(o-Tolylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 44531725
2-chloro-N-methyl-N-(1-methylindol-5-yl)quinazolin-4-amine
CID 149339259
N-(1,2-dimethylindol-5-yl)-N,2-dimethylquinazolin-4-amine
CID 155673373
5-Methyl-[1,2,4]triazolo[4,3-a]quinoline
CID 266106
7-Nitro-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline
CID 1089057

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The IUPAC name of N-[3-(2-fluorophenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (CID 156536397) is N-[3-(2-fluorophenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.
What is the SMILES notation for N-[3-(2-fluorophenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The canonical SMILES for N-[3-(2-fluorophenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is CN(c1cccc(-c2ccccc2F)c1)c1nc2nncn2c2ccccc12.
What is the InChIKey of N-[3-(2-fluorophenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The InChIKey is NJHLRYOIJXQJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5/c1-27(16-8-6-7-15(13-16)17-9-2-4-11-19(17)23)21-18-10-3-5-12-20(18)28-14-24-26-22(28)25-21/h2-14H,1H3.
What are the key properties of N-[3-(2-fluorophenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
N-[3-(2-fluorophenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine has a molecular weight of 369.40 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is sourced from PubChem (CID 156536397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).