2-(2,6-dichloroanilino)-1-methyl-8H-imidazo[4,5-f]quinazolin-9-one

C16H11Cl2N5O — CID 135432997

IUPAC2-(2,6-dichloroanilino)-1-methyl-8H-imidazo[4,5-f]quinazolin-9-one
SMILESCn1c(Nc2c(Cl)cccc2Cl)nc2ccc3nc[nH]c(=O)c3c21
InChIInChI=1S/C16H11Cl2N5O/c1-23-14-11(6-5-10-12(14)15(24)20-7-19-10)21-16(23)22-13-8(17)3-2-4-9(13)18/h2-7H,1H3,(H,21,22)(H,19,20,24)
InChIKeyXYVPRYYZCCLUPU-UHFFFAOYSA-N
MW360.20 g/mol
LogP3.86
Rot. Bonds2

About 2-(2,6-dichloroanilino)-1-methyl-8H-imidazo[4,5-f]quinazolin-9-one

2-(2,6-dichloroanilino)-1-methyl-8H-imidazo[4,5-f]quinazolin-9-one (PubChem CID 135432997) has the molecular formula C16H11Cl2N5O and a molecular weight of 360.20 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-1-methyl-8H-imidazo[4,5-f]quinazolin-9-one.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-1-methyl-8H-imidazo[4,5-f]quinazolin-9-one
PubChem CID135432997
Molecular FormulaC16H11Cl2N5O
Molecular Weight360.20 g/mol
Exact Mass359.03
IUPAC Name2-(2,6-dichloroanilino)-1-methyl-8H-imidazo[4,5-f]quinazolin-9-one
SMILESCn1c(Nc2c(Cl)cccc2Cl)nc2ccc3nc[nH]c(=O)c3c21
InChIInChI=1S/C16H11Cl2N5O/c1-23-14-11(6-5-10-12(14)15(24)20-7-19-10)21-16(23)22-13-8(17)3-2-4-9(13)18/h2-7H,1H3,(H,21,22)(H,19,20,24)
InChIKeyXYVPRYYZCCLUPU-UHFFFAOYSA-N
XLogP3.86
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-1-methyl-8H-imidazo[4,5-f]quinazolin-9-one?
The IUPAC name of 2-(2,6-dichloroanilino)-1-methyl-8H-imidazo[4,5-f]quinazolin-9-one (CID 135432997) is 2-(2,6-dichloroanilino)-1-methyl-8H-imidazo[4,5-f]quinazolin-9-one.
What is the SMILES notation for 2-(2,6-dichloroanilino)-1-methyl-8H-imidazo[4,5-f]quinazolin-9-one?
The canonical SMILES for 2-(2,6-dichloroanilino)-1-methyl-8H-imidazo[4,5-f]quinazolin-9-one is Cn1c(Nc2c(Cl)cccc2Cl)nc2ccc3nc[nH]c(=O)c3c21.
What is the InChIKey of 2-(2,6-dichloroanilino)-1-methyl-8H-imidazo[4,5-f]quinazolin-9-one?
The InChIKey is XYVPRYYZCCLUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N5O/c1-23-14-11(6-5-10-12(14)15(24)20-7-19-10)21-16(23)22-13-8(17)3-2-4-9(13)18/h2-7H,1H3,(H,21,22)(H,19,20,24).
What are the key properties of 2-(2,6-dichloroanilino)-1-methyl-8H-imidazo[4,5-f]quinazolin-9-one?
2-(2,6-dichloroanilino)-1-methyl-8H-imidazo[4,5-f]quinazolin-9-one has a molecular weight of 360.20 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloroanilino)-1-methyl-8H-imidazo[4,5-f]quinazolin-9-one is sourced from PubChem (CID 135432997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).