8-methoxy-2-oxo-4-piperidin-1-yl-5,6-dihydro-3H-benzo[f]isoquinoline-1-carbonitrile

C20H21N3O2 — CID 24770247

IUPAC8-methoxy-2-oxo-4-piperidin-1-yl-5,6-dihydro-3H-benzo[f]isoquinoline-1-carbonitrile
SMILESCOc1ccc2c(c1)CCc1c(N3CCCCC3)[nH]c(=O)c(C#N)c1-2
InChIInChI=1S/C20H21N3O2/c1-25-14-6-8-15-13(11-14)5-7-16-18(15)17(12-21)20(24)22-19(16)23-9-3-2-4-10-23/h6,8,11H,2-5,7,9-10H2,1H3,(H,22,24)
InChIKeyQLBQDVKRQXGIQB-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.01
Rot. Bonds2

About 8-methoxy-2-oxo-4-piperidin-1-yl-5,6-dihydro-3H-benzo[f]isoquinoline-1-carbonitrile

8-methoxy-2-oxo-4-piperidin-1-yl-5,6-dihydro-3H-benzo[f]isoquinoline-1-carbonitrile (PubChem CID 24770247) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 8-methoxy-2-oxo-4-piperidin-1-yl-5,6-dihydro-3H-benzo[f]isoquinoline-1-carbonitrile.

Molecular Properties

Compound Name8-methoxy-2-oxo-4-piperidin-1-yl-5,6-dihydro-3H-benzo[f]isoquinoline-1-carbonitrile
PubChem CID24770247
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name8-methoxy-2-oxo-4-piperidin-1-yl-5,6-dihydro-3H-benzo[f]isoquinoline-1-carbonitrile
SMILESCOc1ccc2c(c1)CCc1c(N3CCCCC3)[nH]c(=O)c(C#N)c1-2
InChIInChI=1S/C20H21N3O2/c1-25-14-6-8-15-13(11-14)5-7-16-18(15)17(12-21)20(24)22-19(16)23-9-3-2-4-10-23/h6,8,11H,2-5,7,9-10H2,1H3,(H,22,24)
InChIKeyQLBQDVKRQXGIQB-UHFFFAOYSA-N
XLogP3.01
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-methoxy-2-oxo-4-piperidin-1-yl-5,6-dihydro-3H-benzo[f]isoquinoline-1-carbonitrile 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

7-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
CID 54106372
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
6,19-diethoxypentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,11,13,17(22),18,20-nonaene-12,13-dicarbonitrile
CID 134400793
5-(4-methoxyphenyl)-4-methyl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile
CID 59930371
2-amino-4-(3-methoxy-4-pyrrolidin-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394299
4-(6-azaspiro[2.5]octan-6-yl)-6-methoxy-2-oxo-1H-quinoline-3-carbonitrile
CID 154993307
5-(3-methoxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile
CID 59930452
8-methoxy-2-oxo-1,5-dihydroindeno[1,2-b]pyridine-3-carbonitrile
CID 79374586
7-methoxy-2-oxo-4-phenyl-1H-quinoline-3-carbonitrile
CID 86683080
2,8-dimethoxy-4-[4-(trifluoromethyl)phenyl]-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
CID 2737973
4-[(Z)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzonitrile
CID 6212947
6,19-diheptoxypentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,11,13,17(22),18,20-nonaene-12,13-dicarbonitrile
CID 142316272

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-oxo-4-piperidin-1-yl-5,6-dihydro-3H-benzo[f]isoquinoline-1-carbonitrile?
The IUPAC name of 8-methoxy-2-oxo-4-piperidin-1-yl-5,6-dihydro-3H-benzo[f]isoquinoline-1-carbonitrile (CID 24770247) is 8-methoxy-2-oxo-4-piperidin-1-yl-5,6-dihydro-3H-benzo[f]isoquinoline-1-carbonitrile.
What is the SMILES notation for 8-methoxy-2-oxo-4-piperidin-1-yl-5,6-dihydro-3H-benzo[f]isoquinoline-1-carbonitrile?
The canonical SMILES for 8-methoxy-2-oxo-4-piperidin-1-yl-5,6-dihydro-3H-benzo[f]isoquinoline-1-carbonitrile is COc1ccc2c(c1)CCc1c(N3CCCCC3)[nH]c(=O)c(C#N)c1-2.
What is the InChIKey of 8-methoxy-2-oxo-4-piperidin-1-yl-5,6-dihydro-3H-benzo[f]isoquinoline-1-carbonitrile?
The InChIKey is QLBQDVKRQXGIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-25-14-6-8-15-13(11-14)5-7-16-18(15)17(12-21)20(24)22-19(16)23-9-3-2-4-10-23/h6,8,11H,2-5,7,9-10H2,1H3,(H,22,24).
What are the key properties of 8-methoxy-2-oxo-4-piperidin-1-yl-5,6-dihydro-3H-benzo[f]isoquinoline-1-carbonitrile?
8-methoxy-2-oxo-4-piperidin-1-yl-5,6-dihydro-3H-benzo[f]isoquinoline-1-carbonitrile has a molecular weight of 335.41 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-oxo-4-piperidin-1-yl-5,6-dihydro-3H-benzo[f]isoquinoline-1-carbonitrile is sourced from PubChem (CID 24770247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).