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

C23H19N5O — CID 156537343

IUPACN-[3-(4-methoxyphenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCOc1ccc(-c2cccc(N(C)c3nc4nncn4c4ccccc34)c2)cc1
InChIInChI=1S/C23H19N5O/c1-27(18-7-5-6-17(14-18)16-10-12-19(29-2)13-11-16)22-20-8-3-4-9-21(20)28-15-24-26-23(28)25-22/h3-15H,1-2H3
InChIKeyBPTRUJNIQFHZHN-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.72
Rot. Bonds4

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

N-[3-(4-methoxyphenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (PubChem CID 156537343) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
PubChem CID156537343
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC NameN-[3-(4-methoxyphenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCOc1ccc(-c2cccc(N(C)c3nc4nncn4c4ccccc34)c2)cc1
InChIInChI=1S/C23H19N5O/c1-27(18-7-5-6-17(14-18)16-10-12-19(29-2)13-11-16)22-20-8-3-4-9-21(20)28-15-24-26-23(28)25-22/h3-15H,1-2H3
InChIKeyBPTRUJNIQFHZHN-UHFFFAOYSA-N
XLogP4.72
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-tert-butylphenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156537093
N-[4-[3-[methyl([1,2,4]triazolo[4,3-a]quinazolin-5-yl)amino]phenyl]phenyl]acetamide
CID 156557271
N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156536787
N-methyl-N-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156536634
N-methyl-N-phenyl-7-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156536467
4-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]benzoic acid
CID 156557680
8-chloro-N-methyl-N-[3-(4-propan-2-ylsulfonylphenyl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156536755
N-(2,6-difluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156536530
8-(2-methoxyphenyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156536911
N-methyl-N-phenyl-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156536695
5-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]-1,3-dihydroindol-2-one
CID 156536939
N-[4-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]phenyl]-2,2-dimethylpropanamide
CID 156536307

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The IUPAC name of N-[3-(4-methoxyphenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (CID 156537343) is N-[3-(4-methoxyphenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.
What is the SMILES notation for N-[3-(4-methoxyphenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The canonical SMILES for N-[3-(4-methoxyphenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is COc1ccc(-c2cccc(N(C)c3nc4nncn4c4ccccc34)c2)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The InChIKey is BPTRUJNIQFHZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c1-27(18-7-5-6-17(14-18)16-10-12-19(29-2)13-11-16)22-20-8-3-4-9-21(20)28-15-24-26-23(28)25-22/h3-15H,1-2H3.
What are the key properties of N-[3-(4-methoxyphenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
N-[3-(4-methoxyphenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine has a molecular weight of 381.44 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is sourced from PubChem (CID 156537343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).