4-(2-chloro-6-methylanilino)-7,8-dimethoxy-N-phenylimidazo[1,5-a]quinoxaline-1-carboxamide

C26H22ClN5O3 — CID 57050263

IUPAC4-(2-chloro-6-methylanilino)-7,8-dimethoxy-N-phenylimidazo[1,5-a]quinoxaline-1-carboxamide
SMILESCOc1cc2nc(Nc3c(C)cccc3Cl)c3cnc(C(=O)Nc4ccccc4)n3c2cc1OC
InChIInChI=1S/C26H22ClN5O3/c1-15-8-7-11-17(27)23(15)31-24-20-14-28-25(26(33)29-16-9-5-4-6-10-16)32(20)19-13-22(35-3)21(34-2)12-18(19)30-24/h4-14H,1-3H3,(H,29,33)(H,30,31)
InChIKeyYYPBGHAUVKAJIO-UHFFFAOYSA-N
MW487.95 g/mol
LogP5.86
Rot. Bonds6

About 4-(2-chloro-6-methylanilino)-7,8-dimethoxy-N-phenylimidazo[1,5-a]quinoxaline-1-carboxamide

4-(2-chloro-6-methylanilino)-7,8-dimethoxy-N-phenylimidazo[1,5-a]quinoxaline-1-carboxamide (PubChem CID 57050263) has the molecular formula C26H22ClN5O3 and a molecular weight of 487.95 g/mol. Its IUPAC name is 4-(2-chloro-6-methylanilino)-7,8-dimethoxy-N-phenylimidazo[1,5-a]quinoxaline-1-carboxamide.

Molecular Properties

Compound Name4-(2-chloro-6-methylanilino)-7,8-dimethoxy-N-phenylimidazo[1,5-a]quinoxaline-1-carboxamide
PubChem CID57050263
Molecular FormulaC26H22ClN5O3
Molecular Weight487.95 g/mol
Exact Mass487.14
IUPAC Name4-(2-chloro-6-methylanilino)-7,8-dimethoxy-N-phenylimidazo[1,5-a]quinoxaline-1-carboxamide
SMILESCOc1cc2nc(Nc3c(C)cccc3Cl)c3cnc(C(=O)Nc4ccccc4)n3c2cc1OC
InChIInChI=1S/C26H22ClN5O3/c1-15-8-7-11-17(27)23(15)31-24-20-14-28-25(26(33)29-16-9-5-4-6-10-16)32(20)19-13-22(35-3)21(34-2)12-18(19)30-24/h4-14H,1-3H3,(H,29,33)(H,30,31)
InChIKeyYYPBGHAUVKAJIO-UHFFFAOYSA-N
XLogP5.86
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.95
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-methylanilino)-7,8-dimethoxy-N-phenylimidazo[1,5-a]quinoxaline-1-carboxamide?
The IUPAC name of 4-(2-chloro-6-methylanilino)-7,8-dimethoxy-N-phenylimidazo[1,5-a]quinoxaline-1-carboxamide (CID 57050263) is 4-(2-chloro-6-methylanilino)-7,8-dimethoxy-N-phenylimidazo[1,5-a]quinoxaline-1-carboxamide.
What is the SMILES notation for 4-(2-chloro-6-methylanilino)-7,8-dimethoxy-N-phenylimidazo[1,5-a]quinoxaline-1-carboxamide?
The canonical SMILES for 4-(2-chloro-6-methylanilino)-7,8-dimethoxy-N-phenylimidazo[1,5-a]quinoxaline-1-carboxamide is COc1cc2nc(Nc3c(C)cccc3Cl)c3cnc(C(=O)Nc4ccccc4)n3c2cc1OC.
What is the InChIKey of 4-(2-chloro-6-methylanilino)-7,8-dimethoxy-N-phenylimidazo[1,5-a]quinoxaline-1-carboxamide?
The InChIKey is YYPBGHAUVKAJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN5O3/c1-15-8-7-11-17(27)23(15)31-24-20-14-28-25(26(33)29-16-9-5-4-6-10-16)32(20)19-13-22(35-3)21(34-2)12-18(19)30-24/h4-14H,1-3H3,(H,29,33)(H,30,31).
What are the key properties of 4-(2-chloro-6-methylanilino)-7,8-dimethoxy-N-phenylimidazo[1,5-a]quinoxaline-1-carboxamide?
4-(2-chloro-6-methylanilino)-7,8-dimethoxy-N-phenylimidazo[1,5-a]quinoxaline-1-carboxamide has a molecular weight of 487.95 g/mol, XLogP of 5.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-methylanilino)-7,8-dimethoxy-N-phenylimidazo[1,5-a]quinoxaline-1-carboxamide is sourced from PubChem (CID 57050263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).