9-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one

C15H19N3O — CID 90835395

IUPAC9-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one
SMILESCN(C)CCn1c2c(c3ccccc31)CCNC2=O
InChIInChI=1S/C15H19N3O/c1-17(2)9-10-18-13-6-4-3-5-11(13)12-7-8-16-15(19)14(12)18/h3-6H,7-10H2,1-2H3,(H,16,19)
InChIKeyWAKJNQFTSRMXOD-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.49
Rot. Bonds3

About 9-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one

9-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one (PubChem CID 90835395) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 9-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one.

Molecular Properties

Compound Name9-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one
PubChem CID90835395
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name9-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one
SMILESCN(C)CCn1c2c(c3ccccc31)CCNC2=O
InChIInChI=1S/C15H19N3O/c1-17(2)9-10-18-13-6-4-3-5-11(13)12-7-8-16-15(19)14(12)18/h3-6H,7-10H2,1-2H3,(H,16,19)
InChIKeyWAKJNQFTSRMXOD-UHFFFAOYSA-N
XLogP1.49
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

9-[3-(dimethylamino)propyl]-1-oxo-3,4-dihydro-2H-pyrido[3,4-b]indole-6-carboxylic acid
CID 68994981
10-[2-(dimethylamino)ethyl]acridin-9-one
CID 3014731
4-[3-(dimethylamino)propyl]-2-methyl-1H-pyrrolo[3,4-b]indol-3-one
CID 97356822
6-bromo-9-(2-hydroxyethyl)-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one
CID 11544068
(E)-but-2-enedioic acid;2-(6,7,8,9,10,11-hexahydrocycloocta[b]indol-5-yl)-N,N-dimethylethanamine
CID 6444790
9-[3-(butylamino)propyl]-6-chloro-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one
CID 91218501
4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]indole
CID 82411813
9-[2-(dimethylamino)ethyl]-6-methoxy-3,4-dihydro-2H-carbazol-1-one;hydrochloride
CID 138398345
2-(6-bromo-1-oxo-3,4-dihydro-2H-pyrido[3,4-b]indol-9-yl)acetic acid
CID 11659807
3-[3-(dimethylamino)propyl]-23-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one
CID 67874484
1-[2-(dimethylamino)ethyl]quinolin-2-one
CID 45117450
(5Z)-5-(2-amino-5-oxo-1H-imidazol-4-ylidene)-10-methyl-3,4-dihydro-2H-azepino[3,4-b]indol-1-one
CID 135424985

Frequently Asked Questions

What is the IUPAC name of 9-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one?
The IUPAC name of 9-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one (CID 90835395) is 9-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one.
What is the SMILES notation for 9-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one?
The canonical SMILES for 9-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one is CN(C)CCn1c2c(c3ccccc31)CCNC2=O.
What is the InChIKey of 9-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one?
The InChIKey is WAKJNQFTSRMXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-17(2)9-10-18-13-6-4-3-5-11(13)12-7-8-16-15(19)14(12)18/h3-6H,7-10H2,1-2H3,(H,16,19).
What are the key properties of 9-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one?
9-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one has a molecular weight of 257.34 g/mol, XLogP of 1.49, 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]-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one is sourced from PubChem (CID 90835395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).