2-(2,6-dichloroanilino)-6,7-dimethyl-3,8-dihydroimidazo[4,5-h]isoquinolin-9-one

C18H14Cl2N4O — CID 10248747

IUPAC2-(2,6-dichloroanilino)-6,7-dimethyl-3,8-dihydroimidazo[4,5-h]isoquinolin-9-one
SMILESCc1[nH]c(=O)c2c(ccc3[nH]c(Nc4c(Cl)cccc4Cl)nc32)c1C
InChIInChI=1S/C18H14Cl2N4O/c1-8-9(2)21-17(25)14-10(8)6-7-13-16(14)24-18(22-13)23-15-11(19)4-3-5-12(15)20/h3-7H,1-2H3,(H,21,25)(H2,22,23,24)
InChIKeyYDEDKRCWCCZXBE-UHFFFAOYSA-N
MW373.24 g/mol
LogP5.07
Rot. Bonds2

About 2-(2,6-dichloroanilino)-6,7-dimethyl-3,8-dihydroimidazo[4,5-h]isoquinolin-9-one

2-(2,6-dichloroanilino)-6,7-dimethyl-3,8-dihydroimidazo[4,5-h]isoquinolin-9-one (PubChem CID 10248747) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-6,7-dimethyl-3,8-dihydroimidazo[4,5-h]isoquinolin-9-one.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-6,7-dimethyl-3,8-dihydroimidazo[4,5-h]isoquinolin-9-one
PubChem CID10248747
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC Name2-(2,6-dichloroanilino)-6,7-dimethyl-3,8-dihydroimidazo[4,5-h]isoquinolin-9-one
SMILESCc1[nH]c(=O)c2c(ccc3[nH]c(Nc4c(Cl)cccc4Cl)nc32)c1C
InChIInChI=1S/C18H14Cl2N4O/c1-8-9(2)21-17(25)14-10(8)6-7-13-16(14)24-18(22-13)23-15-11(19)4-3-5-12(15)20/h3-7H,1-2H3,(H,21,25)(H2,22,23,24)
InChIKeyYDEDKRCWCCZXBE-UHFFFAOYSA-N
XLogP5.07
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.24
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-6,7-dimethyl-3,8-dihydroimidazo[4,5-h]isoquinolin-9-one?
The IUPAC name of 2-(2,6-dichloroanilino)-6,7-dimethyl-3,8-dihydroimidazo[4,5-h]isoquinolin-9-one (CID 10248747) is 2-(2,6-dichloroanilino)-6,7-dimethyl-3,8-dihydroimidazo[4,5-h]isoquinolin-9-one.
What is the SMILES notation for 2-(2,6-dichloroanilino)-6,7-dimethyl-3,8-dihydroimidazo[4,5-h]isoquinolin-9-one?
The canonical SMILES for 2-(2,6-dichloroanilino)-6,7-dimethyl-3,8-dihydroimidazo[4,5-h]isoquinolin-9-one is Cc1[nH]c(=O)c2c(ccc3[nH]c(Nc4c(Cl)cccc4Cl)nc32)c1C.
What is the InChIKey of 2-(2,6-dichloroanilino)-6,7-dimethyl-3,8-dihydroimidazo[4,5-h]isoquinolin-9-one?
The InChIKey is YDEDKRCWCCZXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c1-8-9(2)21-17(25)14-10(8)6-7-13-16(14)24-18(22-13)23-15-11(19)4-3-5-12(15)20/h3-7H,1-2H3,(H,21,25)(H2,22,23,24).
What are the key properties of 2-(2,6-dichloroanilino)-6,7-dimethyl-3,8-dihydroimidazo[4,5-h]isoquinolin-9-one?
2-(2,6-dichloroanilino)-6,7-dimethyl-3,8-dihydroimidazo[4,5-h]isoquinolin-9-one has a molecular weight of 373.24 g/mol, XLogP of 5.07, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloroanilino)-6,7-dimethyl-3,8-dihydroimidazo[4,5-h]isoquinolin-9-one is sourced from PubChem (CID 10248747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).