2-(2,6-dichloroanilino)-1,6-dimethyl-7-[(E)-3-morpholin-4-ylprop-1-enyl]-8H-imidazo[4,5-h]isoquinolin-9-one

C25H25Cl2N5O2 — CID 10951171

IUPAC2-(2,6-dichloroanilino)-1,6-dimethyl-7-[(E)-3-morpholin-4-ylprop-1-enyl]-8H-imidazo[4,5-h]isoquinolin-9-one
SMILESCc1c(/C=C/CN2CCOCC2)[nH]c(=O)c2c1ccc1nc(Nc3c(Cl)cccc3Cl)n(C)c12
InChIInChI=1S/C25H25Cl2N5O2/c1-15-16-8-9-20-23(31(2)25(29-20)30-22-17(26)5-3-6-18(22)27)21(16)24(33)28-19(15)7-4-10-32-11-13-34-14-12-32/h3-9H,10-14H2,1-2H3,(H,28,33)(H,29,30)/b7-4+
InChIKeyWIOZREBVAPDXDM-QPJJXVBHSA-N
MW498.41 g/mol
LogP5.12
Rot. Bonds5

About 2-(2,6-dichloroanilino)-1,6-dimethyl-7-[(E)-3-morpholin-4-ylprop-1-enyl]-8H-imidazo[4,5-h]isoquinolin-9-one

2-(2,6-dichloroanilino)-1,6-dimethyl-7-[(E)-3-morpholin-4-ylprop-1-enyl]-8H-imidazo[4,5-h]isoquinolin-9-one (PubChem CID 10951171) has the molecular formula C25H25Cl2N5O2 and a molecular weight of 498.41 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-1,6-dimethyl-7-[(E)-3-morpholin-4-ylprop-1-enyl]-8H-imidazo[4,5-h]isoquinolin-9-one.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-1,6-dimethyl-7-[(E)-3-morpholin-4-ylprop-1-enyl]-8H-imidazo[4,5-h]isoquinolin-9-one
PubChem CID10951171
Molecular FormulaC25H25Cl2N5O2
Molecular Weight498.41 g/mol
Exact Mass497.14
IUPAC Name2-(2,6-dichloroanilino)-1,6-dimethyl-7-[(E)-3-morpholin-4-ylprop-1-enyl]-8H-imidazo[4,5-h]isoquinolin-9-one
SMILESCc1c(/C=C/CN2CCOCC2)[nH]c(=O)c2c1ccc1nc(Nc3c(Cl)cccc3Cl)n(C)c12
InChIInChI=1S/C25H25Cl2N5O2/c1-15-16-8-9-20-23(31(2)25(29-20)30-22-17(26)5-3-6-18(22)27)21(16)24(33)28-19(15)7-4-10-32-11-13-34-14-12-32/h3-9H,10-14H2,1-2H3,(H,28,33)(H,29,30)/b7-4+
InChIKeyWIOZREBVAPDXDM-QPJJXVBHSA-N
XLogP5.12
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.41
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,6-Dichloro-phenylamino)-7-(3-diethylamino-propenyl)-1,6-dimethyl-1,8-dihydro-imidazo[4,5-h]isoquinolin-9-one
CID 9869943
4-chloro-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide
CID 1121185
2-(2,6-Dichloro-phenylamino)-1,6,7-trimethyl-1,8-dihydro-imidazo[4,5-h]isoquinolin-9-one
CID 9908247
2-(2,6-Dichloro-phenylamino)-6-(2-hydroxy-ethyl)-1,7-dimethyl-1,8-dihydro-imidazo[4,5-h]isoquinolin-9-one
CID 9953741
9H-Imidazo(4,5-H)isoquinolin-9-one, 2-((2,6-dichlorophenyl)amino)-1,8-dihydro-6,7-dimethyl-
CID 10248747
2-(2,6-Dichloro-phenylamino)-7-(3-dimethylamino-propenyl)-1,6-dimethyl-1,8-dihydro-imidazo[4,5-h]isoquinolin-9-one
CID 10366780
2-(2,6-Dichloro-phenylamino)-1,6-dimethyl-9-oxo-8,9-dihydro-1H-imidazo[4,5-h]isoquinoline-7-carbaldehyde
CID 10862285
2-(2,6-Dichloro-phenylamino)-1,7-dimethyl-6-(3-morpholin-4-yl-propyl)-1,8-dihydro-imidazo[4,5-h]isoquinolin-9-one
CID 10864012
2-(2,6-Dichlorophenylamino)-1,7-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)-1,8-dihydro-imidazo[4,5-h]isoquinoline-9-one
CID 10885591
7-(3-Amino-propenyl)-2-(2,6-dichloro-phenylamino)-1,6-dimethyl-1,8-dihydro-imidazo[4,5-h]isoquinolin-9-one
CID 10950004
2-(2,6-Dichlorophenylamino)-1,7-dimethyl-6-(2-morpholin-4-yl-ethyl)-1,8-dihydro-imidazo[4,5-h]isoquinoline-9-one
CID 10961937
2-(2,6-Dichloro-phenylamino)-7-(3-ethylamino-propenyl)-1,6-dimethyl-1,8-dihydro-imidazo[4,5-h]isoquinolin-9-one
CID 10983330

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-1,6-dimethyl-7-[(E)-3-morpholin-4-ylprop-1-enyl]-8H-imidazo[4,5-h]isoquinolin-9-one?
The IUPAC name of 2-(2,6-dichloroanilino)-1,6-dimethyl-7-[(E)-3-morpholin-4-ylprop-1-enyl]-8H-imidazo[4,5-h]isoquinolin-9-one (CID 10951171) is 2-(2,6-dichloroanilino)-1,6-dimethyl-7-[(E)-3-morpholin-4-ylprop-1-enyl]-8H-imidazo[4,5-h]isoquinolin-9-one.
What is the SMILES notation for 2-(2,6-dichloroanilino)-1,6-dimethyl-7-[(E)-3-morpholin-4-ylprop-1-enyl]-8H-imidazo[4,5-h]isoquinolin-9-one?
The canonical SMILES for 2-(2,6-dichloroanilino)-1,6-dimethyl-7-[(E)-3-morpholin-4-ylprop-1-enyl]-8H-imidazo[4,5-h]isoquinolin-9-one is Cc1c(/C=C/CN2CCOCC2)[nH]c(=O)c2c1ccc1nc(Nc3c(Cl)cccc3Cl)n(C)c12.
What is the InChIKey of 2-(2,6-dichloroanilino)-1,6-dimethyl-7-[(E)-3-morpholin-4-ylprop-1-enyl]-8H-imidazo[4,5-h]isoquinolin-9-one?
The InChIKey is WIOZREBVAPDXDM-QPJJXVBHSA-N. The full InChI is InChI=1S/C25H25Cl2N5O2/c1-15-16-8-9-20-23(31(2)25(29-20)30-22-17(26)5-3-6-18(22)27)21(16)24(33)28-19(15)7-4-10-32-11-13-34-14-12-32/h3-9H,10-14H2,1-2H3,(H,28,33)(H,29,30)/b7-4+.
What are the key properties of 2-(2,6-dichloroanilino)-1,6-dimethyl-7-[(E)-3-morpholin-4-ylprop-1-enyl]-8H-imidazo[4,5-h]isoquinolin-9-one?
2-(2,6-dichloroanilino)-1,6-dimethyl-7-[(E)-3-morpholin-4-ylprop-1-enyl]-8H-imidazo[4,5-h]isoquinolin-9-one has a molecular weight of 498.41 g/mol, XLogP of 5.12, 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)-1,6-dimethyl-7-[(E)-3-morpholin-4-ylprop-1-enyl]-8H-imidazo[4,5-h]isoquinolin-9-one is sourced from PubChem (CID 10951171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).