N-(2-chloro-6-methylphenyl)-9-methoxyimidazo[1,5-a]quinoxalin-3-amine

C18H15ClN4O — CID 67655468

IUPACN-(2-chloro-6-methylphenyl)-9-methoxyimidazo[1,5-a]quinoxalin-3-amine
SMILESCOc1cccc2ncc3c(Nc4c(C)cccc4Cl)ncn3c12
InChIInChI=1S/C18H15ClN4O/c1-11-5-3-6-12(19)16(11)22-18-14-9-20-13-7-4-8-15(24-2)17(13)23(14)10-21-18/h3-10,22H,1-2H3
InChIKeySFDWYFLSEOHUGC-UHFFFAOYSA-N
MW338.80 g/mol
LogP4.60
Rot. Bonds3

About N-(2-chloro-6-methylphenyl)-9-methoxyimidazo[1,5-a]quinoxalin-3-amine

N-(2-chloro-6-methylphenyl)-9-methoxyimidazo[1,5-a]quinoxalin-3-amine (PubChem CID 67655468) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-9-methoxyimidazo[1,5-a]quinoxalin-3-amine.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-9-methoxyimidazo[1,5-a]quinoxalin-3-amine
PubChem CID67655468
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC NameN-(2-chloro-6-methylphenyl)-9-methoxyimidazo[1,5-a]quinoxalin-3-amine
SMILESCOc1cccc2ncc3c(Nc4c(C)cccc4Cl)ncn3c12
InChIInChI=1S/C18H15ClN4O/c1-11-5-3-6-12(19)16(11)22-18-14-9-20-13-7-4-8-15(24-2)17(13)23(14)10-21-18/h3-10,22H,1-2H3
InChIKeySFDWYFLSEOHUGC-UHFFFAOYSA-N
XLogP4.60
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-9-methoxyimidazo[1,5-a]quinoxalin-3-amine?
The IUPAC name of N-(2-chloro-6-methylphenyl)-9-methoxyimidazo[1,5-a]quinoxalin-3-amine (CID 67655468) is N-(2-chloro-6-methylphenyl)-9-methoxyimidazo[1,5-a]quinoxalin-3-amine.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-9-methoxyimidazo[1,5-a]quinoxalin-3-amine?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-9-methoxyimidazo[1,5-a]quinoxalin-3-amine is COc1cccc2ncc3c(Nc4c(C)cccc4Cl)ncn3c12.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-9-methoxyimidazo[1,5-a]quinoxalin-3-amine?
The InChIKey is SFDWYFLSEOHUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c1-11-5-3-6-12(19)16(11)22-18-14-9-20-13-7-4-8-15(24-2)17(13)23(14)10-21-18/h3-10,22H,1-2H3.
What are the key properties of N-(2-chloro-6-methylphenyl)-9-methoxyimidazo[1,5-a]quinoxalin-3-amine?
N-(2-chloro-6-methylphenyl)-9-methoxyimidazo[1,5-a]quinoxalin-3-amine has a molecular weight of 338.80 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-9-methoxyimidazo[1,5-a]quinoxalin-3-amine is sourced from PubChem (CID 67655468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).