9-[1-(dimethylamino)propan-2-yl]-1-methyl-2H-pyrido[3,4-b]indol-7-one

C17H21N3O — CID 90459839

IUPAC9-[1-(dimethylamino)propan-2-yl]-1-methyl-2H-pyrido[3,4-b]indol-7-one
SMILESCc1[nH]ccc2c3ccc(=O)cc3n(C(C)CN(C)C)c12
InChIInChI=1S/C17H21N3O/c1-11(10-19(3)4)20-16-9-13(21)5-6-14(16)15-7-8-18-12(2)17(15)20/h5-9,11,18H,10H2,1-4H3
InChIKeyHAUMYHLRHNYFMZ-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.91
Rot. Bonds3

About 9-[1-(dimethylamino)propan-2-yl]-1-methyl-2H-pyrido[3,4-b]indol-7-one

9-[1-(dimethylamino)propan-2-yl]-1-methyl-2H-pyrido[3,4-b]indol-7-one (PubChem CID 90459839) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 9-[1-(dimethylamino)propan-2-yl]-1-methyl-2H-pyrido[3,4-b]indol-7-one.

Molecular Properties

Compound Name9-[1-(dimethylamino)propan-2-yl]-1-methyl-2H-pyrido[3,4-b]indol-7-one
PubChem CID90459839
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name9-[1-(dimethylamino)propan-2-yl]-1-methyl-2H-pyrido[3,4-b]indol-7-one
SMILESCc1[nH]ccc2c3ccc(=O)cc3n(C(C)CN(C)C)c12
InChIInChI=1S/C17H21N3O/c1-11(10-19(3)4)20-16-9-13(21)5-6-14(16)15-7-8-18-12(2)17(15)20/h5-9,11,18H,10H2,1-4H3
InChIKeyHAUMYHLRHNYFMZ-UHFFFAOYSA-N
XLogP2.91
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[1-(dimethylamino)propan-2-yl]-1-methyl-2H-pyrido[3,4-b]indol-7-one?
The IUPAC name of 9-[1-(dimethylamino)propan-2-yl]-1-methyl-2H-pyrido[3,4-b]indol-7-one (CID 90459839) is 9-[1-(dimethylamino)propan-2-yl]-1-methyl-2H-pyrido[3,4-b]indol-7-one.
What is the SMILES notation for 9-[1-(dimethylamino)propan-2-yl]-1-methyl-2H-pyrido[3,4-b]indol-7-one?
The canonical SMILES for 9-[1-(dimethylamino)propan-2-yl]-1-methyl-2H-pyrido[3,4-b]indol-7-one is Cc1[nH]ccc2c3ccc(=O)cc3n(C(C)CN(C)C)c12.
What is the InChIKey of 9-[1-(dimethylamino)propan-2-yl]-1-methyl-2H-pyrido[3,4-b]indol-7-one?
The InChIKey is HAUMYHLRHNYFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11(10-19(3)4)20-16-9-13(21)5-6-14(16)15-7-8-18-12(2)17(15)20/h5-9,11,18H,10H2,1-4H3.
What are the key properties of 9-[1-(dimethylamino)propan-2-yl]-1-methyl-2H-pyrido[3,4-b]indol-7-one?
9-[1-(dimethylamino)propan-2-yl]-1-methyl-2H-pyrido[3,4-b]indol-7-one has a molecular weight of 283.38 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(dimethylamino)propan-2-yl]-1-methyl-2H-pyrido[3,4-b]indol-7-one is sourced from PubChem (CID 90459839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).