7,7-dimethyl-5-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-6,8-dihydroquinoline-3-carbonitrile

C23H23N3O — CID 24777936

IUPAC7,7-dimethyl-5-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-6,8-dihydroquinoline-3-carbonitrile
SMILESCC1(C)CC(=O)c2cc(C#N)c(N3CC=C(c4ccccc4)CC3)nc2C1
InChIInChI=1S/C23H23N3O/c1-23(2)13-20-19(21(27)14-23)12-18(15-24)22(25-20)26-10-8-17(9-11-26)16-6-4-3-5-7-16/h3-8,12H,9-11,13-14H2,1-2H3
InChIKeyAIYWZWORQFMZPU-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.40
Rot. Bonds2

About 7,7-dimethyl-5-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-6,8-dihydroquinoline-3-carbonitrile

7,7-dimethyl-5-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-6,8-dihydroquinoline-3-carbonitrile (PubChem CID 24777936) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 7,7-dimethyl-5-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-6,8-dihydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name7,7-dimethyl-5-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-6,8-dihydroquinoline-3-carbonitrile
PubChem CID24777936
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name7,7-dimethyl-5-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-6,8-dihydroquinoline-3-carbonitrile
SMILESCC1(C)CC(=O)c2cc(C#N)c(N3CC=C(c4ccccc4)CC3)nc2C1
InChIInChI=1S/C23H23N3O/c1-23(2)13-20-19(21(27)14-23)12-18(15-24)22(25-20)26-10-8-17(9-11-26)16-6-4-3-5-7-16/h3-8,12H,9-11,13-14H2,1-2H3
InChIKeyAIYWZWORQFMZPU-UHFFFAOYSA-N
XLogP4.40
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-6,8-dihydroquinoline-3-carbonitrile?
The IUPAC name of 7,7-dimethyl-5-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-6,8-dihydroquinoline-3-carbonitrile (CID 24777936) is 7,7-dimethyl-5-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-6,8-dihydroquinoline-3-carbonitrile.
What is the SMILES notation for 7,7-dimethyl-5-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-6,8-dihydroquinoline-3-carbonitrile?
The canonical SMILES for 7,7-dimethyl-5-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-6,8-dihydroquinoline-3-carbonitrile is CC1(C)CC(=O)c2cc(C#N)c(N3CC=C(c4ccccc4)CC3)nc2C1.
What is the InChIKey of 7,7-dimethyl-5-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-6,8-dihydroquinoline-3-carbonitrile?
The InChIKey is AIYWZWORQFMZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-23(2)13-20-19(21(27)14-23)12-18(15-24)22(25-20)26-10-8-17(9-11-26)16-6-4-3-5-7-16/h3-8,12H,9-11,13-14H2,1-2H3.
What are the key properties of 7,7-dimethyl-5-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-6,8-dihydroquinoline-3-carbonitrile?
7,7-dimethyl-5-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-6,8-dihydroquinoline-3-carbonitrile has a molecular weight of 357.46 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-6,8-dihydroquinoline-3-carbonitrile is sourced from PubChem (CID 24777936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).