9-[2-(dimethylamino)ethyl]-5-methyl-2H-pyrido[3,4-b]indol-7-one

C16H19N3O — CID 90459737

IUPAC9-[2-(dimethylamino)ethyl]-5-methyl-2H-pyrido[3,4-b]indol-7-one
SMILESCc1cc(=O)cc2c1c1cc[nH]cc1n2CCN(C)C
InChIInChI=1S/C16H19N3O/c1-11-8-12(20)9-14-16(11)13-4-5-17-10-15(13)19(14)7-6-18(2)3/h4-5,8-10,17H,6-7H2,1-3H3
InChIKeyOGDMPFILBXLMNR-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.35
Rot. Bonds3

About 9-[2-(dimethylamino)ethyl]-5-methyl-2H-pyrido[3,4-b]indol-7-one

9-[2-(dimethylamino)ethyl]-5-methyl-2H-pyrido[3,4-b]indol-7-one (PubChem CID 90459737) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 9-[2-(dimethylamino)ethyl]-5-methyl-2H-pyrido[3,4-b]indol-7-one.

Molecular Properties

Compound Name9-[2-(dimethylamino)ethyl]-5-methyl-2H-pyrido[3,4-b]indol-7-one
PubChem CID90459737
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name9-[2-(dimethylamino)ethyl]-5-methyl-2H-pyrido[3,4-b]indol-7-one
SMILESCc1cc(=O)cc2c1c1cc[nH]cc1n2CCN(C)C
InChIInChI=1S/C16H19N3O/c1-11-8-12(20)9-14-16(11)13-4-5-17-10-15(13)19(14)7-6-18(2)3/h4-5,8-10,17H,6-7H2,1-3H3
InChIKeyOGDMPFILBXLMNR-UHFFFAOYSA-N
XLogP2.35
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(dimethylamino)ethyl]-5-methyl-2H-pyrido[3,4-b]indol-7-one?
The IUPAC name of 9-[2-(dimethylamino)ethyl]-5-methyl-2H-pyrido[3,4-b]indol-7-one (CID 90459737) is 9-[2-(dimethylamino)ethyl]-5-methyl-2H-pyrido[3,4-b]indol-7-one.
What is the SMILES notation for 9-[2-(dimethylamino)ethyl]-5-methyl-2H-pyrido[3,4-b]indol-7-one?
The canonical SMILES for 9-[2-(dimethylamino)ethyl]-5-methyl-2H-pyrido[3,4-b]indol-7-one is Cc1cc(=O)cc2c1c1cc[nH]cc1n2CCN(C)C.
What is the InChIKey of 9-[2-(dimethylamino)ethyl]-5-methyl-2H-pyrido[3,4-b]indol-7-one?
The InChIKey is OGDMPFILBXLMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-8-12(20)9-14-16(11)13-4-5-17-10-15(13)19(14)7-6-18(2)3/h4-5,8-10,17H,6-7H2,1-3H3.
What are the key properties of 9-[2-(dimethylamino)ethyl]-5-methyl-2H-pyrido[3,4-b]indol-7-one?
9-[2-(dimethylamino)ethyl]-5-methyl-2H-pyrido[3,4-b]indol-7-one has a molecular weight of 269.35 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(dimethylamino)ethyl]-5-methyl-2H-pyrido[3,4-b]indol-7-one is sourced from PubChem (CID 90459737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).