8-methyl-4-(1-methylpyrrol-2-yl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile

C16H17N3O — CID 118732087

IUPAC8-methyl-4-(1-methylpyrrol-2-yl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
SMILESCC1CCCc2c1[nH]c(=O)c(C#N)c2-c1cccn1C
InChIInChI=1S/C16H17N3O/c1-10-5-3-6-11-14(13-7-4-8-19(13)2)12(9-17)16(20)18-15(10)11/h4,7-8,10H,3,5-6H2,1-2H3,(H,18,20)
InChIKeyGBYXAMCJROBBDS-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.69
Rot. Bonds1

About 8-methyl-4-(1-methylpyrrol-2-yl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile

8-methyl-4-(1-methylpyrrol-2-yl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile (PubChem CID 118732087) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 8-methyl-4-(1-methylpyrrol-2-yl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name8-methyl-4-(1-methylpyrrol-2-yl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
PubChem CID118732087
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name8-methyl-4-(1-methylpyrrol-2-yl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
SMILESCC1CCCc2c1[nH]c(=O)c(C#N)c2-c1cccn1C
InChIInChI=1S/C16H17N3O/c1-10-5-3-6-11-14(13-7-4-8-19(13)2)12(9-17)16(20)18-15(10)11/h4,7-8,10H,3,5-6H2,1-2H3,(H,18,20)
InChIKeyGBYXAMCJROBBDS-UHFFFAOYSA-N
XLogP2.69
TPSA61.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-(1-methylpyrrol-2-yl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
The IUPAC name of 8-methyl-4-(1-methylpyrrol-2-yl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile (CID 118732087) is 8-methyl-4-(1-methylpyrrol-2-yl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 8-methyl-4-(1-methylpyrrol-2-yl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
The canonical SMILES for 8-methyl-4-(1-methylpyrrol-2-yl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile is CC1CCCc2c1[nH]c(=O)c(C#N)c2-c1cccn1C.
What is the InChIKey of 8-methyl-4-(1-methylpyrrol-2-yl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
The InChIKey is GBYXAMCJROBBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-10-5-3-6-11-14(13-7-4-8-19(13)2)12(9-17)16(20)18-15(10)11/h4,7-8,10H,3,5-6H2,1-2H3,(H,18,20).
What are the key properties of 8-methyl-4-(1-methylpyrrol-2-yl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
8-methyl-4-(1-methylpyrrol-2-yl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-(1-methylpyrrol-2-yl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 118732087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).