6-chloro-5-(dimethylamino)-2-methyl-10H-acridin-9-one

C16H15ClN2O — CID 155297676

IUPAC6-chloro-5-(dimethylamino)-2-methyl-10H-acridin-9-one
SMILESCc1ccc2[nH]c3c(N(C)C)c(Cl)ccc3c(=O)c2c1
InChIInChI=1S/C16H15ClN2O/c1-9-4-7-13-11(8-9)16(20)10-5-6-12(17)15(19(2)3)14(10)18-13/h4-8H,1-3H3,(H,18,20)
InChIKeyWKWAFYANDPEXOM-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.71
Rot. Bonds1

About 6-chloro-5-(dimethylamino)-2-methyl-10H-acridin-9-one

6-chloro-5-(dimethylamino)-2-methyl-10H-acridin-9-one (PubChem CID 155297676) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 6-chloro-5-(dimethylamino)-2-methyl-10H-acridin-9-one.

Molecular Properties

Compound Name6-chloro-5-(dimethylamino)-2-methyl-10H-acridin-9-one
PubChem CID155297676
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name6-chloro-5-(dimethylamino)-2-methyl-10H-acridin-9-one
SMILESCc1ccc2[nH]c3c(N(C)C)c(Cl)ccc3c(=O)c2c1
InChIInChI=1S/C16H15ClN2O/c1-9-4-7-13-11(8-9)16(20)10-5-6-12(17)15(19(2)3)14(10)18-13/h4-8H,1-3H3,(H,18,20)
InChIKeyWKWAFYANDPEXOM-UHFFFAOYSA-N
XLogP3.71
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(dimethylamino)-2-methyl-10H-acridin-9-one?
The IUPAC name of 6-chloro-5-(dimethylamino)-2-methyl-10H-acridin-9-one (CID 155297676) is 6-chloro-5-(dimethylamino)-2-methyl-10H-acridin-9-one.
What is the SMILES notation for 6-chloro-5-(dimethylamino)-2-methyl-10H-acridin-9-one?
The canonical SMILES for 6-chloro-5-(dimethylamino)-2-methyl-10H-acridin-9-one is Cc1ccc2[nH]c3c(N(C)C)c(Cl)ccc3c(=O)c2c1.
What is the InChIKey of 6-chloro-5-(dimethylamino)-2-methyl-10H-acridin-9-one?
The InChIKey is WKWAFYANDPEXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-9-4-7-13-11(8-9)16(20)10-5-6-12(17)15(19(2)3)14(10)18-13/h4-8H,1-3H3,(H,18,20).
What are the key properties of 6-chloro-5-(dimethylamino)-2-methyl-10H-acridin-9-one?
6-chloro-5-(dimethylamino)-2-methyl-10H-acridin-9-one has a molecular weight of 286.76 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(dimethylamino)-2-methyl-10H-acridin-9-one is sourced from PubChem (CID 155297676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).