2-(2,6-dichloroanilino)-1,7-dimethyl-6-(2-morpholin-4-ylethyl)-8H-imidazo[4,5-h]isoquinolin-9-one

C24H25Cl2N5O2 — CID 10961937

IUPAC2-(2,6-dichloroanilino)-1,7-dimethyl-6-(2-morpholin-4-ylethyl)-8H-imidazo[4,5-h]isoquinolin-9-one
SMILESCc1[nH]c(=O)c2c(ccc3nc(Nc4c(Cl)cccc4Cl)n(C)c32)c1CCN1CCOCC1
InChIInChI=1S/C24H25Cl2N5O2/c1-14-15(8-9-31-10-12-33-13-11-31)16-6-7-19-22(20(16)23(32)27-14)30(2)24(28-19)29-21-17(25)4-3-5-18(21)26/h3-7H,8-13H2,1-2H3,(H,27,32)(H,28,29)
InChIKeyNFKCXCSVZOJQAY-UHFFFAOYSA-N
MW486.40 g/mol
LogP4.65
Rot. Bonds5

About 2-(2,6-dichloroanilino)-1,7-dimethyl-6-(2-morpholin-4-ylethyl)-8H-imidazo[4,5-h]isoquinolin-9-one

2-(2,6-dichloroanilino)-1,7-dimethyl-6-(2-morpholin-4-ylethyl)-8H-imidazo[4,5-h]isoquinolin-9-one (PubChem CID 10961937) has the molecular formula C24H25Cl2N5O2 and a molecular weight of 486.40 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-1,7-dimethyl-6-(2-morpholin-4-ylethyl)-8H-imidazo[4,5-h]isoquinolin-9-one.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-1,7-dimethyl-6-(2-morpholin-4-ylethyl)-8H-imidazo[4,5-h]isoquinolin-9-one
PubChem CID10961937
Molecular FormulaC24H25Cl2N5O2
Molecular Weight486.40 g/mol
Exact Mass485.14
IUPAC Name2-(2,6-dichloroanilino)-1,7-dimethyl-6-(2-morpholin-4-ylethyl)-8H-imidazo[4,5-h]isoquinolin-9-one
SMILESCc1[nH]c(=O)c2c(ccc3nc(Nc4c(Cl)cccc4Cl)n(C)c32)c1CCN1CCOCC1
InChIInChI=1S/C24H25Cl2N5O2/c1-14-15(8-9-31-10-12-33-13-11-31)16-6-7-19-22(20(16)23(32)27-14)30(2)24(28-19)29-21-17(25)4-3-5-18(21)26/h3-7H,8-13H2,1-2H3,(H,27,32)(H,28,29)
InChIKeyNFKCXCSVZOJQAY-UHFFFAOYSA-N
XLogP4.65
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.40
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-1,7-dimethyl-6-(2-morpholin-4-ylethyl)-8H-imidazo[4,5-h]isoquinolin-9-one?
The IUPAC name of 2-(2,6-dichloroanilino)-1,7-dimethyl-6-(2-morpholin-4-ylethyl)-8H-imidazo[4,5-h]isoquinolin-9-one (CID 10961937) is 2-(2,6-dichloroanilino)-1,7-dimethyl-6-(2-morpholin-4-ylethyl)-8H-imidazo[4,5-h]isoquinolin-9-one.
What is the SMILES notation for 2-(2,6-dichloroanilino)-1,7-dimethyl-6-(2-morpholin-4-ylethyl)-8H-imidazo[4,5-h]isoquinolin-9-one?
The canonical SMILES for 2-(2,6-dichloroanilino)-1,7-dimethyl-6-(2-morpholin-4-ylethyl)-8H-imidazo[4,5-h]isoquinolin-9-one is Cc1[nH]c(=O)c2c(ccc3nc(Nc4c(Cl)cccc4Cl)n(C)c32)c1CCN1CCOCC1.
What is the InChIKey of 2-(2,6-dichloroanilino)-1,7-dimethyl-6-(2-morpholin-4-ylethyl)-8H-imidazo[4,5-h]isoquinolin-9-one?
The InChIKey is NFKCXCSVZOJQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N5O2/c1-14-15(8-9-31-10-12-33-13-11-31)16-6-7-19-22(20(16)23(32)27-14)30(2)24(28-19)29-21-17(25)4-3-5-18(21)26/h3-7H,8-13H2,1-2H3,(H,27,32)(H,28,29).
What are the key properties of 2-(2,6-dichloroanilino)-1,7-dimethyl-6-(2-morpholin-4-ylethyl)-8H-imidazo[4,5-h]isoquinolin-9-one?
2-(2,6-dichloroanilino)-1,7-dimethyl-6-(2-morpholin-4-ylethyl)-8H-imidazo[4,5-h]isoquinolin-9-one has a molecular weight of 486.40 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloroanilino)-1,7-dimethyl-6-(2-morpholin-4-ylethyl)-8H-imidazo[4,5-h]isoquinolin-9-one is sourced from PubChem (CID 10961937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).