1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)ethanone

C21H20N4O — CID 177035206

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)ethanone
SMILESCn1ncc2c1c1ccccc1n2CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C21H20N4O/c1-23-21-16-9-3-5-11-18(16)25(19(21)13-22-23)14-20(26)24-12-6-8-15-7-2-4-10-17(15)24/h2-5,7,9-11,13H,6,8,12,14H2,1H3
InChIKeyVIGPQXPRLWCFPI-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.51
Rot. Bonds2

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)ethanone (PubChem CID 177035206) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)ethanone
PubChem CID177035206
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)ethanone
SMILESCn1ncc2c1c1ccccc1n2CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C21H20N4O/c1-23-21-16-9-3-5-11-18(16)25(19(21)13-22-23)14-20(26)24-12-6-8-15-7-2-4-10-17(15)24/h2-5,7,9-11,13H,6,8,12,14H2,1H3
InChIKeyVIGPQXPRLWCFPI-UHFFFAOYSA-N
XLogP3.51
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)ethanone 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

5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 27559360
10-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]acridin-9-one
CID 25332662
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-ethylsulfonylbenzimidazol-1-yl)ethanone
CID 18576773
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]ethanone
CID 51250220
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(furan-2-yl)benzimidazol-1-yl]ethanone
CID 1176479
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-propylpyridazino[4,5-b]indol-4-one
CID 20912849
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one
CID 15999898
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-ethylquinazolin-4-one
CID 860000
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 17494484
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-pyridin-3-ylbenzimidazol-1-yl)ethanone
CID 30867769

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)ethanone (CID 177035206) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)ethanone is Cn1ncc2c1c1ccccc1n2CC(=O)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)ethanone?
The InChIKey is VIGPQXPRLWCFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-23-21-16-9-3-5-11-18(16)25(19(21)13-22-23)14-20(26)24-12-6-8-15-7-2-4-10-17(15)24/h2-5,7,9-11,13H,6,8,12,14H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)ethanone has a molecular weight of 344.42 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)ethanone is sourced from PubChem (CID 177035206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).