N-(2-chloro-6-methylphenyl)-7,8-dimethoxy-1-(nitrosomethyl)imidazo[1,5-a]quinoxalin-4-amine

C20H18ClN5O3 — CID 91007683

IUPACN-(2-chloro-6-methylphenyl)-7,8-dimethoxy-1-(nitrosomethyl)imidazo[1,5-a]quinoxalin-4-amine
SMILESCOc1cc2nc(Nc3c(C)cccc3Cl)c3cnc(CN=O)n3c2cc1OC
InChIInChI=1S/C20H18ClN5O3/c1-11-5-4-6-12(21)19(11)25-20-15-9-22-18(10-23-27)26(15)14-8-17(29-3)16(28-2)7-13(14)24-20/h4-9H,10H2,1-3H3,(H,24,25)
InChIKeySWLCIDITLVAUGT-UHFFFAOYSA-N
MW411.85 g/mol
LogP4.87
Rot. Bonds6

About N-(2-chloro-6-methylphenyl)-7,8-dimethoxy-1-(nitrosomethyl)imidazo[1,5-a]quinoxalin-4-amine

N-(2-chloro-6-methylphenyl)-7,8-dimethoxy-1-(nitrosomethyl)imidazo[1,5-a]quinoxalin-4-amine (PubChem CID 91007683) has the molecular formula C20H18ClN5O3 and a molecular weight of 411.85 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-7,8-dimethoxy-1-(nitrosomethyl)imidazo[1,5-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-7,8-dimethoxy-1-(nitrosomethyl)imidazo[1,5-a]quinoxalin-4-amine
PubChem CID91007683
Molecular FormulaC20H18ClN5O3
Molecular Weight411.85 g/mol
Exact Mass411.11
IUPAC NameN-(2-chloro-6-methylphenyl)-7,8-dimethoxy-1-(nitrosomethyl)imidazo[1,5-a]quinoxalin-4-amine
SMILESCOc1cc2nc(Nc3c(C)cccc3Cl)c3cnc(CN=O)n3c2cc1OC
InChIInChI=1S/C20H18ClN5O3/c1-11-5-4-6-12(21)19(11)25-20-15-9-22-18(10-23-27)26(15)14-8-17(29-3)16(28-2)7-13(14)24-20/h4-9H,10H2,1-3H3,(H,24,25)
InChIKeySWLCIDITLVAUGT-UHFFFAOYSA-N
XLogP4.87
TPSA90.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.85
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-7,8-dimethoxy-1-(nitrosomethyl)imidazo[1,5-a]quinoxalin-4-amine?
The IUPAC name of N-(2-chloro-6-methylphenyl)-7,8-dimethoxy-1-(nitrosomethyl)imidazo[1,5-a]quinoxalin-4-amine (CID 91007683) is N-(2-chloro-6-methylphenyl)-7,8-dimethoxy-1-(nitrosomethyl)imidazo[1,5-a]quinoxalin-4-amine.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-7,8-dimethoxy-1-(nitrosomethyl)imidazo[1,5-a]quinoxalin-4-amine?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-7,8-dimethoxy-1-(nitrosomethyl)imidazo[1,5-a]quinoxalin-4-amine is COc1cc2nc(Nc3c(C)cccc3Cl)c3cnc(CN=O)n3c2cc1OC.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-7,8-dimethoxy-1-(nitrosomethyl)imidazo[1,5-a]quinoxalin-4-amine?
The InChIKey is SWLCIDITLVAUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O3/c1-11-5-4-6-12(21)19(11)25-20-15-9-22-18(10-23-27)26(15)14-8-17(29-3)16(28-2)7-13(14)24-20/h4-9H,10H2,1-3H3,(H,24,25).
What are the key properties of N-(2-chloro-6-methylphenyl)-7,8-dimethoxy-1-(nitrosomethyl)imidazo[1,5-a]quinoxalin-4-amine?
N-(2-chloro-6-methylphenyl)-7,8-dimethoxy-1-(nitrosomethyl)imidazo[1,5-a]quinoxalin-4-amine has a molecular weight of 411.85 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-7,8-dimethoxy-1-(nitrosomethyl)imidazo[1,5-a]quinoxalin-4-amine is sourced from PubChem (CID 91007683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).