4-[2-(diethylamino)ethylamino]-2,9-dihydropyrido[3,4-b]indol-1-one

C17H22N4O — CID 169316038

IUPAC4-[2-(diethylamino)ethylamino]-2,9-dihydropyrido[3,4-b]indol-1-one
SMILESCCN(CC)CCNc1c[nH]c(=O)c2[nH]c3ccccc3c12
InChIInChI=1S/C17H22N4O/c1-3-21(4-2)10-9-18-14-11-19-17(22)16-15(14)12-7-5-6-8-13(12)20-16/h5-8,11,18,20H,3-4,9-10H2,1-2H3,(H,19,22)
InChIKeyLCOJYTOGSWCPED-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.76
Rot. Bonds6

About 4-[2-(diethylamino)ethylamino]-2,9-dihydropyrido[3,4-b]indol-1-one

4-[2-(diethylamino)ethylamino]-2,9-dihydropyrido[3,4-b]indol-1-one (PubChem CID 169316038) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethylamino]-2,9-dihydropyrido[3,4-b]indol-1-one.

Molecular Properties

Compound Name4-[2-(diethylamino)ethylamino]-2,9-dihydropyrido[3,4-b]indol-1-one
PubChem CID169316038
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name4-[2-(diethylamino)ethylamino]-2,9-dihydropyrido[3,4-b]indol-1-one
SMILESCCN(CC)CCNc1c[nH]c(=O)c2[nH]c3ccccc3c12
InChIInChI=1S/C17H22N4O/c1-3-21(4-2)10-9-18-14-11-19-17(22)16-15(14)12-7-5-6-8-13(12)20-16/h5-8,11,18,20H,3-4,9-10H2,1-2H3,(H,19,22)
InChIKeyLCOJYTOGSWCPED-UHFFFAOYSA-N
XLogP2.76
TPSA63.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[2-(diethylamino)ethylamino]-2,9-dihydropyrido[3,4-b]indol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-methylanilino)-2,9-dihydropyrido[3,4-b]indol-1-one
CID 169316028
4-bromo-2,9-dihydropyrido[3,4-b]indol-1-one
CID 178165297
2-[2-(diethylamino)ethylamino]cyclohepta-2,4,6-trien-1-one;dihydrochloride
CID 138398310
N',N'-diethyl-N-(6-methyl-9H-pyrido[2,3-b]indol-4-yl)ethane-1,2-diamine
CID 44523226
4-amino-1-[2-(diethylamino)ethylamino]-6,7-dimethoxy-10H-acridin-9-one
CID 10548076
1-[2-(diethylamino)ethylamino]-4-methylthioxanthen-9-one chloride
CID 5351142
N-[2-(diethylamino)ethyl]-3-iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride
CID 44587572
1-[3-(diethylamino)propyl]-3-(1H-indol-3-yl)urea
CID 7615961
3-[2-(diethylamino)ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
CID 15054195
N',N'-diethyl-N-[2-(1H-indol-3-yl)ethyl]ethane-1,2-diamine
CID 82089991
1-[2-(dimethylamino)ethylamino]-N-[3-[[1-[2-(dimethylamino)ethylamino]-9-oxo-10H-acridine-4-carbonyl]amino]propyl]-9-oxo-10H-acridine-4-carboxamide
CID 11814469
N,N-diethyl-2-[4-methyl-5-(3-methyl-1H-indol-2-yl)-1H-pyrrol-3-yl]ethanamine
CID 91570877

Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethylamino]-2,9-dihydropyrido[3,4-b]indol-1-one?
The IUPAC name of 4-[2-(diethylamino)ethylamino]-2,9-dihydropyrido[3,4-b]indol-1-one (CID 169316038) is 4-[2-(diethylamino)ethylamino]-2,9-dihydropyrido[3,4-b]indol-1-one.
What is the SMILES notation for 4-[2-(diethylamino)ethylamino]-2,9-dihydropyrido[3,4-b]indol-1-one?
The canonical SMILES for 4-[2-(diethylamino)ethylamino]-2,9-dihydropyrido[3,4-b]indol-1-one is CCN(CC)CCNc1c[nH]c(=O)c2[nH]c3ccccc3c12.
What is the InChIKey of 4-[2-(diethylamino)ethylamino]-2,9-dihydropyrido[3,4-b]indol-1-one?
The InChIKey is LCOJYTOGSWCPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-21(4-2)10-9-18-14-11-19-17(22)16-15(14)12-7-5-6-8-13(12)20-16/h5-8,11,18,20H,3-4,9-10H2,1-2H3,(H,19,22).
What are the key properties of 4-[2-(diethylamino)ethylamino]-2,9-dihydropyrido[3,4-b]indol-1-one?
4-[2-(diethylamino)ethylamino]-2,9-dihydropyrido[3,4-b]indol-1-one has a molecular weight of 298.39 g/mol, XLogP of 2.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethylamino]-2,9-dihydropyrido[3,4-b]indol-1-one is sourced from PubChem (CID 169316038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).