N-[1-(2-chlorophenyl)-7-methoxy-3-methylimidazo[1,5-a]quinoxalin-4-yl]methanesulfonamide

C19H17ClN4O3S — CID 42623295

IUPACN-[1-(2-chlorophenyl)-7-methoxy-3-methylimidazo[1,5-a]quinoxalin-4-yl]methanesulfonamide
SMILESCOc1ccc2c(c1)nc(NS(C)(=O)=O)c1c(C)nc(-c3ccccc3Cl)n12
InChIInChI=1S/C19H17ClN4O3S/c1-11-17-18(23-28(3,25)26)22-15-10-12(27-2)8-9-16(15)24(17)19(21-11)13-6-4-5-7-14(13)20/h4-10H,1-3H3,(H,22,23)
InChIKeyKQAMFRIWSYALQN-UHFFFAOYSA-N
MW416.89 g/mol
LogP3.89
Rot. Bonds4

About N-[1-(2-chlorophenyl)-7-methoxy-3-methylimidazo[1,5-a]quinoxalin-4-yl]methanesulfonamide

N-[1-(2-chlorophenyl)-7-methoxy-3-methylimidazo[1,5-a]quinoxalin-4-yl]methanesulfonamide (PubChem CID 42623295) has the molecular formula C19H17ClN4O3S and a molecular weight of 416.89 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-7-methoxy-3-methylimidazo[1,5-a]quinoxalin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-7-methoxy-3-methylimidazo[1,5-a]quinoxalin-4-yl]methanesulfonamide
PubChem CID42623295
Molecular FormulaC19H17ClN4O3S
Molecular Weight416.89 g/mol
Exact Mass416.07
IUPAC NameN-[1-(2-chlorophenyl)-7-methoxy-3-methylimidazo[1,5-a]quinoxalin-4-yl]methanesulfonamide
SMILESCOc1ccc2c(c1)nc(NS(C)(=O)=O)c1c(C)nc(-c3ccccc3Cl)n12
InChIInChI=1S/C19H17ClN4O3S/c1-11-17-18(23-28(3,25)26)22-15-10-12(27-2)8-9-16(15)24(17)19(21-11)13-6-4-5-7-14(13)20/h4-10H,1-3H3,(H,22,23)
InChIKeyKQAMFRIWSYALQN-UHFFFAOYSA-N
XLogP3.89
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.89
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-7-methoxy-3-methylimidazo[1,5-a]quinoxalin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(2-chlorophenyl)-7-methoxy-3-methylimidazo[1,5-a]quinoxalin-4-yl]methanesulfonamide (CID 42623295) is N-[1-(2-chlorophenyl)-7-methoxy-3-methylimidazo[1,5-a]quinoxalin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-7-methoxy-3-methylimidazo[1,5-a]quinoxalin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-7-methoxy-3-methylimidazo[1,5-a]quinoxalin-4-yl]methanesulfonamide is COc1ccc2c(c1)nc(NS(C)(=O)=O)c1c(C)nc(-c3ccccc3Cl)n12.
What is the InChIKey of N-[1-(2-chlorophenyl)-7-methoxy-3-methylimidazo[1,5-a]quinoxalin-4-yl]methanesulfonamide?
The InChIKey is KQAMFRIWSYALQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3S/c1-11-17-18(23-28(3,25)26)22-15-10-12(27-2)8-9-16(15)24(17)19(21-11)13-6-4-5-7-14(13)20/h4-10H,1-3H3,(H,22,23).
What are the key properties of N-[1-(2-chlorophenyl)-7-methoxy-3-methylimidazo[1,5-a]quinoxalin-4-yl]methanesulfonamide?
N-[1-(2-chlorophenyl)-7-methoxy-3-methylimidazo[1,5-a]quinoxalin-4-yl]methanesulfonamide has a molecular weight of 416.89 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-7-methoxy-3-methylimidazo[1,5-a]quinoxalin-4-yl]methanesulfonamide is sourced from PubChem (CID 42623295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).