3-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1-oxo-4H-pyrido[1,2-a]benzimidazole-4-carbonitrile

C23H20N4O — CID 43064474

IUPAC3-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1-oxo-4H-pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCC1CCc2ccccc2N1CC1=CC(=O)n2c(nc3ccccc32)C1C#N
InChIInChI=1S/C23H20N4O/c1-15-10-11-16-6-2-4-8-20(16)26(15)14-17-12-22(28)27-21-9-5-3-7-19(21)25-23(27)18(17)13-24/h2-9,12,15,18H,10-11,14H2,1H3
InChIKeyGNPWKQWIORCKPH-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.06
Rot. Bonds2

About 3-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1-oxo-4H-pyrido[1,2-a]benzimidazole-4-carbonitrile

3-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1-oxo-4H-pyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 43064474) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1-oxo-4H-pyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name3-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1-oxo-4H-pyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID43064474
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name3-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1-oxo-4H-pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCC1CCc2ccccc2N1CC1=CC(=O)n2c(nc3ccccc32)C1C#N
InChIInChI=1S/C23H20N4O/c1-15-10-11-16-6-2-4-8-20(16)26(15)14-17-12-22(28)27-21-9-5-3-7-19(21)25-23(27)18(17)13-24/h2-9,12,15,18H,10-11,14H2,1H3
InChIKeyGNPWKQWIORCKPH-UHFFFAOYSA-N
XLogP4.06
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1-oxo-4H-pyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 3-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1-oxo-4H-pyrido[1,2-a]benzimidazole-4-carbonitrile (CID 43064474) is 3-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1-oxo-4H-pyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 3-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1-oxo-4H-pyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 3-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1-oxo-4H-pyrido[1,2-a]benzimidazole-4-carbonitrile is CC1CCc2ccccc2N1CC1=CC(=O)n2c(nc3ccccc32)C1C#N.
What is the InChIKey of 3-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1-oxo-4H-pyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is GNPWKQWIORCKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-15-10-11-16-6-2-4-8-20(16)26(15)14-17-12-22(28)27-21-9-5-3-7-19(21)25-23(27)18(17)13-24/h2-9,12,15,18H,10-11,14H2,1H3.
What are the key properties of 3-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1-oxo-4H-pyrido[1,2-a]benzimidazole-4-carbonitrile?
3-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1-oxo-4H-pyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 368.44 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1-oxo-4H-pyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 43064474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).