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

C19H17ClN4O2 — CID 11726550

IUPACN-(2-chloro-6-methylphenyl)-7,8-dimethoxyimidazo[1,5-a]quinoxalin-4-amine
SMILESCOc1cc2nc(Nc3c(C)cccc3Cl)c3cncn3c2cc1OC
InChIInChI=1S/C19H17ClN4O2/c1-11-5-4-6-12(20)18(11)23-19-15-9-21-10-24(15)14-8-17(26-3)16(25-2)7-13(14)22-19/h4-10H,1-3H3,(H,22,23)
InChIKeyLSAGKYBLDIDLBP-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.61
Rot. Bonds4

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

N-(2-chloro-6-methylphenyl)-7,8-dimethoxyimidazo[1,5-a]quinoxalin-4-amine (PubChem CID 11726550) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-7,8-dimethoxyimidazo[1,5-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-7,8-dimethoxyimidazo[1,5-a]quinoxalin-4-amine
PubChem CID11726550
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC NameN-(2-chloro-6-methylphenyl)-7,8-dimethoxyimidazo[1,5-a]quinoxalin-4-amine
SMILESCOc1cc2nc(Nc3c(C)cccc3Cl)c3cncn3c2cc1OC
InChIInChI=1S/C19H17ClN4O2/c1-11-5-4-6-12(20)18(11)23-19-15-9-21-10-24(15)14-8-17(26-3)16(25-2)7-13(14)22-19/h4-10H,1-3H3,(H,22,23)
InChIKeyLSAGKYBLDIDLBP-UHFFFAOYSA-N
XLogP4.61
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-7,8-dimethoxyimidazo[1,5-a]quinoxalin-4-amine?
The IUPAC name of N-(2-chloro-6-methylphenyl)-7,8-dimethoxyimidazo[1,5-a]quinoxalin-4-amine (CID 11726550) is N-(2-chloro-6-methylphenyl)-7,8-dimethoxyimidazo[1,5-a]quinoxalin-4-amine.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-7,8-dimethoxyimidazo[1,5-a]quinoxalin-4-amine?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-7,8-dimethoxyimidazo[1,5-a]quinoxalin-4-amine is COc1cc2nc(Nc3c(C)cccc3Cl)c3cncn3c2cc1OC.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-7,8-dimethoxyimidazo[1,5-a]quinoxalin-4-amine?
The InChIKey is LSAGKYBLDIDLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-11-5-4-6-12(20)18(11)23-19-15-9-21-10-24(15)14-8-17(26-3)16(25-2)7-13(14)22-19/h4-10H,1-3H3,(H,22,23).
What are the key properties of N-(2-chloro-6-methylphenyl)-7,8-dimethoxyimidazo[1,5-a]quinoxalin-4-amine?
N-(2-chloro-6-methylphenyl)-7,8-dimethoxyimidazo[1,5-a]quinoxalin-4-amine has a molecular weight of 368.82 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-7,8-dimethoxyimidazo[1,5-a]quinoxalin-4-amine is sourced from PubChem (CID 11726550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).