[6-[2-(dimethylamino)ethylamino]-7-oxoindeno[2,1-c]quinolin-3-yl] 2,2-dimethylpropanoate

C25H27N3O3 — CID 22371660

IUPAC[6-[2-(dimethylamino)ethylamino]-7-oxoindeno[2,1-c]quinolin-3-yl] 2,2-dimethylpropanoate
SMILESCN(C)CCNc1nc2cc(OC(=O)C(C)(C)C)ccc2c2c1C(=O)c1ccccc1-2
InChIInChI=1S/C25H27N3O3/c1-25(2,3)24(30)31-15-10-11-18-19(14-15)27-23(26-12-13-28(4)5)21-20(18)16-8-6-7-9-17(16)22(21)29/h6-11,14H,12-13H2,1-5H3,(H,26,27)
InChIKeyOUHLVGLNKWCDQO-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.37
Rot. Bonds5

About [6-[2-(dimethylamino)ethylamino]-7-oxoindeno[2,1-c]quinolin-3-yl] 2,2-dimethylpropanoate

[6-[2-(dimethylamino)ethylamino]-7-oxoindeno[2,1-c]quinolin-3-yl] 2,2-dimethylpropanoate (PubChem CID 22371660) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is [6-[2-(dimethylamino)ethylamino]-7-oxoindeno[2,1-c]quinolin-3-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[6-[2-(dimethylamino)ethylamino]-7-oxoindeno[2,1-c]quinolin-3-yl] 2,2-dimethylpropanoate
PubChem CID22371660
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name[6-[2-(dimethylamino)ethylamino]-7-oxoindeno[2,1-c]quinolin-3-yl] 2,2-dimethylpropanoate
SMILESCN(C)CCNc1nc2cc(OC(=O)C(C)(C)C)ccc2c2c1C(=O)c1ccccc1-2
InChIInChI=1S/C25H27N3O3/c1-25(2,3)24(30)31-15-10-11-18-19(14-15)27-23(26-12-13-28(4)5)21-20(18)16-8-6-7-9-17(16)22(21)29/h6-11,14H,12-13H2,1-5H3,(H,26,27)
InChIKeyOUHLVGLNKWCDQO-UHFFFAOYSA-N
XLogP4.37
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

9-[2-(dimethylamino)ethylamino]-5-methylsulfanyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one
CID 23448035
5-methoxy-9-[2-[3-[2-[(5-methoxy-11-oxo-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-9-yl)amino]ethyl-methylamino]propyl-methylamino]ethylamino]-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one
CID 10055580
3-hydroxy-6-(2-pyrrolidin-1-ylethylamino)indeno[2,1-c]quinolin-7-one
CID 135939808
5-chloro-9-[2-[3-[2-[(5-chloro-11-oxo-8,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-9-yl)amino]ethyl-methylamino]propyl-methylamino]ethylamino]-8,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one
CID 10417414
1,4-bis[3-(dimethylamino)propylamino]benzo[g]phthalazine-5,10-dione;trihydrochloride
CID 19811416
N',N'-dimethyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine
CID 18549044
[4-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]phenyl] 2,2-dimethylpropanoate
CID 10133443
9-[2-[3-[2-[[4-ethyl-3-(3-methyliminoprop-1-en-2-yloxy)quinolin-2-yl]amino]ethyl-methylamino]propyl-methylamino]ethylamino]-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-11-one
CID 142825622
(3-methyl-2H-indazol-6-yl) 2,2-dimethylpropanoate
CID 174621707
2-[2-(dimethylamino)ethylamino]benzo[g]quinoline-5,10-dione
CID 67868318
9-[2-(dimethylamino)ethylamino]-11-nitroso-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-5-ol
CID 136627535
2-tert-butyl-4,11-bis[2-(dimethylamino)ethylamino]naphtho[2,3-f][1]benzofuran-5,10-dione;dihydrochloride
CID 51033259

Frequently Asked Questions

What is the IUPAC name of [6-[2-(dimethylamino)ethylamino]-7-oxoindeno[2,1-c]quinolin-3-yl] 2,2-dimethylpropanoate?
The IUPAC name of [6-[2-(dimethylamino)ethylamino]-7-oxoindeno[2,1-c]quinolin-3-yl] 2,2-dimethylpropanoate (CID 22371660) is [6-[2-(dimethylamino)ethylamino]-7-oxoindeno[2,1-c]quinolin-3-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [6-[2-(dimethylamino)ethylamino]-7-oxoindeno[2,1-c]quinolin-3-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [6-[2-(dimethylamino)ethylamino]-7-oxoindeno[2,1-c]quinolin-3-yl] 2,2-dimethylpropanoate is CN(C)CCNc1nc2cc(OC(=O)C(C)(C)C)ccc2c2c1C(=O)c1ccccc1-2.
What is the InChIKey of [6-[2-(dimethylamino)ethylamino]-7-oxoindeno[2,1-c]quinolin-3-yl] 2,2-dimethylpropanoate?
The InChIKey is OUHLVGLNKWCDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-25(2,3)24(30)31-15-10-11-18-19(14-15)27-23(26-12-13-28(4)5)21-20(18)16-8-6-7-9-17(16)22(21)29/h6-11,14H,12-13H2,1-5H3,(H,26,27).
What are the key properties of [6-[2-(dimethylamino)ethylamino]-7-oxoindeno[2,1-c]quinolin-3-yl] 2,2-dimethylpropanoate?
[6-[2-(dimethylamino)ethylamino]-7-oxoindeno[2,1-c]quinolin-3-yl] 2,2-dimethylpropanoate has a molecular weight of 417.51 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(dimethylamino)ethylamino]-7-oxoindeno[2,1-c]quinolin-3-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 22371660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).