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

C17H14ClN5O — CID 15990164

IUPACN-(3-chloro-4-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
SMILESCOc1ccc(Nc2nc3ccccc3c3nnc(C)n23)cc1Cl
InChIInChI=1S/C17H14ClN5O/c1-10-21-22-16-12-5-3-4-6-14(12)20-17(23(10)16)19-11-7-8-15(24-2)13(18)9-11/h3-9H,1-2H3,(H,19,20)
InChIKeyAHXNOPFNOWDWBD-UHFFFAOYSA-N
MW339.79 g/mol
LogP3.99
Rot. Bonds3

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

N-(3-chloro-4-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine (PubChem CID 15990164) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
PubChem CID15990164
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
SMILESCOc1ccc(Nc2nc3ccccc3c3nnc(C)n23)cc1Cl
InChIInChI=1S/C17H14ClN5O/c1-10-21-22-16-12-5-3-4-6-14(12)20-17(23(10)16)19-11-7-8-15(24-2)13(18)9-11/h3-9H,1-2H3,(H,19,20)
InChIKeyAHXNOPFNOWDWBD-UHFFFAOYSA-N
XLogP3.99
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine (CID 15990164) is N-(3-chloro-4-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine is COc1ccc(Nc2nc3ccccc3c3nnc(C)n23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The InChIKey is AHXNOPFNOWDWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O/c1-10-21-22-16-12-5-3-4-6-14(12)20-17(23(10)16)19-11-7-8-15(24-2)13(18)9-11/h3-9H,1-2H3,(H,19,20).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
N-(3-chloro-4-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine has a molecular weight of 339.79 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine is sourced from PubChem (CID 15990164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).