2-[[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinolin-5-yl]methyl]benzonitrile

C24H21N3O2 — CID 126572411

IUPAC2-[[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinolin-5-yl]methyl]benzonitrile
SMILESCc1cc(-c2ccc3c(c2Cc2ccccc2C#N)CCC(=O)N3)cn(C)c1=O
InChIInChI=1S/C24H21N3O2/c1-15-11-18(14-27(2)24(15)29)19-7-9-22-20(8-10-23(28)26-22)21(19)12-16-5-3-4-6-17(16)13-25/h3-7,9,11,14H,8,10,12H2,1-2H3,(H,26,28)
InChIKeyQQKHJNMJXLURLO-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.71
Rot. Bonds3

About 2-[[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinolin-5-yl]methyl]benzonitrile

2-[[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinolin-5-yl]methyl]benzonitrile (PubChem CID 126572411) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinolin-5-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinolin-5-yl]methyl]benzonitrile
PubChem CID126572411
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name2-[[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinolin-5-yl]methyl]benzonitrile
SMILESCc1cc(-c2ccc3c(c2Cc2ccccc2C#N)CCC(=O)N3)cn(C)c1=O
InChIInChI=1S/C24H21N3O2/c1-15-11-18(14-27(2)24(15)29)19-7-9-22-20(8-10-23(28)26-22)21(19)12-16-5-3-4-6-17(16)13-25/h3-7,9,11,14H,8,10,12H2,1-2H3,(H,26,28)
InChIKeyQQKHJNMJXLURLO-UHFFFAOYSA-N
XLogP3.71
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinolin-5-yl]methyl]benzonitrile with MolForge

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Launch Full Analysis

Related Compounds

6-benzyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
CID 126587514
N-[(1E)-2-[5-[(2-cyanophenyl)methyl]-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-4-methylpenta-1,3-dienyl]-N-methylformamide
CID 154972355
7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
CID 146807908
2-[(4-chloro-1-methyl-6-oxopyrimidin-5-yl)methyl]benzonitrile
CID 11550663
2-[(6-chloro-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl]benzonitrile
CID 69301625
7-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-[(2Z)-2-(methyliminomethyl)penta-2,4-dienyl]-3,4-dihydro-1H-quinolin-2-one
CID 145256295
6-chloro-5-(pyridin-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-one;1,3-dimethyl-5-[6-oxo-1-(pyridin-3-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one
CID 159983087
2-[[5-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(oxan-4-yl)-1H-benzimidazol-4-yl]oxy]benzonitrile
CID 154675067
8-(cyclopentylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
CID 126587658
5-[4-(bromomethyl)-2,5-dimethylphenyl]-1,3-dimethylpyridin-2-one
CID 134247860
5-[(3-fluorophenyl)methyl]-6-(2-hydroxy-1,3-dimethyl-2H-pyridin-5-yl)-3,4-dihydro-1H-quinolin-2-one
CID 155135229
2-[(2-cyanophenyl)methyl]benzonitrile
CID 19390291

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinolin-5-yl]methyl]benzonitrile?
The IUPAC name of 2-[[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinolin-5-yl]methyl]benzonitrile (CID 126572411) is 2-[[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinolin-5-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinolin-5-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinolin-5-yl]methyl]benzonitrile is Cc1cc(-c2ccc3c(c2Cc2ccccc2C#N)CCC(=O)N3)cn(C)c1=O.
What is the InChIKey of 2-[[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinolin-5-yl]methyl]benzonitrile?
The InChIKey is QQKHJNMJXLURLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-15-11-18(14-27(2)24(15)29)19-7-9-22-20(8-10-23(28)26-22)21(19)12-16-5-3-4-6-17(16)13-25/h3-7,9,11,14H,8,10,12H2,1-2H3,(H,26,28).
What are the key properties of 2-[[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinolin-5-yl]methyl]benzonitrile?
2-[[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinolin-5-yl]methyl]benzonitrile has a molecular weight of 383.45 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinolin-5-yl]methyl]benzonitrile is sourced from PubChem (CID 126572411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).