N-(3-chloro-4-methoxyphenyl)-8-methyltetrazolo[1,5-a]quinoxalin-4-amine

C16H13ClN6O — CID 22431441

IUPACN-(3-chloro-4-methoxyphenyl)-8-methyltetrazolo[1,5-a]quinoxalin-4-amine
SMILESCOc1ccc(Nc2nc3ccc(C)cc3n3nnnc23)cc1Cl
InChIInChI=1S/C16H13ClN6O/c1-9-3-5-12-13(7-9)23-16(20-21-22-23)15(19-12)18-10-4-6-14(24-2)11(17)8-10/h3-8H,1-2H3,(H,18,19)
InChIKeyBVGCDZCMTKUXFA-UHFFFAOYSA-N
MW340.77 g/mol
LogP3.39
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)-8-methyltetrazolo[1,5-a]quinoxalin-4-amine

N-(3-chloro-4-methoxyphenyl)-8-methyltetrazolo[1,5-a]quinoxalin-4-amine (PubChem CID 22431441) has the molecular formula C16H13ClN6O and a molecular weight of 340.77 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-8-methyltetrazolo[1,5-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-8-methyltetrazolo[1,5-a]quinoxalin-4-amine
PubChem CID22431441
Molecular FormulaC16H13ClN6O
Molecular Weight340.77 g/mol
Exact Mass340.08
IUPAC NameN-(3-chloro-4-methoxyphenyl)-8-methyltetrazolo[1,5-a]quinoxalin-4-amine
SMILESCOc1ccc(Nc2nc3ccc(C)cc3n3nnnc23)cc1Cl
InChIInChI=1S/C16H13ClN6O/c1-9-3-5-12-13(7-9)23-16(20-21-22-23)15(19-12)18-10-4-6-14(24-2)11(17)8-10/h3-8H,1-2H3,(H,18,19)
InChIKeyBVGCDZCMTKUXFA-UHFFFAOYSA-N
XLogP3.39
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-ethoxyphenyl)-8-methyltetrazolo[1,5-a]quinoxalin-4-amine
CID 22431482
N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-amine
CID 15989782
N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine
CID 16804498
N-(4-methoxyphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22431373
6-chloro-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 62480912
N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine
CID 734476
3-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)triazolo[1,5-a]quinazolin-5-amine
CID 2137369
N-(2-chloro-4-methylphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22431325
N-(3,4-dimethoxyphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79128816
6-chloro-N-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 27368996
5-N-(3-chloro-4-methoxyphenyl)-3-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963579
4-N-(3-chloro-4-methoxyphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80762990

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-8-methyltetrazolo[1,5-a]quinoxalin-4-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-8-methyltetrazolo[1,5-a]quinoxalin-4-amine (CID 22431441) is N-(3-chloro-4-methoxyphenyl)-8-methyltetrazolo[1,5-a]quinoxalin-4-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-8-methyltetrazolo[1,5-a]quinoxalin-4-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-8-methyltetrazolo[1,5-a]quinoxalin-4-amine is COc1ccc(Nc2nc3ccc(C)cc3n3nnnc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-8-methyltetrazolo[1,5-a]quinoxalin-4-amine?
The InChIKey is BVGCDZCMTKUXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN6O/c1-9-3-5-12-13(7-9)23-16(20-21-22-23)15(19-12)18-10-4-6-14(24-2)11(17)8-10/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-8-methyltetrazolo[1,5-a]quinoxalin-4-amine?
N-(3-chloro-4-methoxyphenyl)-8-methyltetrazolo[1,5-a]quinoxalin-4-amine has a molecular weight of 340.77 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-8-methyltetrazolo[1,5-a]quinoxalin-4-amine is sourced from PubChem (CID 22431441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).