6-(1,3-dimethylpyrazol-4-yl)-1-methyl-3,4-dihydro-2H-quinoline-7-carbonitrile

C16H18N4 — CID 121373178

IUPAC6-(1,3-dimethylpyrazol-4-yl)-1-methyl-3,4-dihydro-2H-quinoline-7-carbonitrile
SMILESCc1nn(C)cc1-c1cc2c(cc1C#N)N(C)CCC2
InChIInChI=1S/C16H18N4/c1-11-15(10-20(3)18-11)14-7-12-5-4-6-19(2)16(12)8-13(14)9-17/h7-8,10H,4-6H2,1-3H3
InChIKeyCMVMLEAWGSGYEC-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.65
Rot. Bonds1

About 6-(1,3-dimethylpyrazol-4-yl)-1-methyl-3,4-dihydro-2H-quinoline-7-carbonitrile

6-(1,3-dimethylpyrazol-4-yl)-1-methyl-3,4-dihydro-2H-quinoline-7-carbonitrile (PubChem CID 121373178) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 6-(1,3-dimethylpyrazol-4-yl)-1-methyl-3,4-dihydro-2H-quinoline-7-carbonitrile.

Molecular Properties

Compound Name6-(1,3-dimethylpyrazol-4-yl)-1-methyl-3,4-dihydro-2H-quinoline-7-carbonitrile
PubChem CID121373178
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name6-(1,3-dimethylpyrazol-4-yl)-1-methyl-3,4-dihydro-2H-quinoline-7-carbonitrile
SMILESCc1nn(C)cc1-c1cc2c(cc1C#N)N(C)CCC2
InChIInChI=1S/C16H18N4/c1-11-15(10-20(3)18-11)14-7-12-5-4-6-19(2)16(12)8-13(14)9-17/h7-8,10H,4-6H2,1-3H3
InChIKeyCMVMLEAWGSGYEC-UHFFFAOYSA-N
XLogP2.65
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dimethylpyrazol-4-yl)-1-methyl-3,4-dihydro-2H-quinoline-7-carbonitrile?
The IUPAC name of 6-(1,3-dimethylpyrazol-4-yl)-1-methyl-3,4-dihydro-2H-quinoline-7-carbonitrile (CID 121373178) is 6-(1,3-dimethylpyrazol-4-yl)-1-methyl-3,4-dihydro-2H-quinoline-7-carbonitrile.
What is the SMILES notation for 6-(1,3-dimethylpyrazol-4-yl)-1-methyl-3,4-dihydro-2H-quinoline-7-carbonitrile?
The canonical SMILES for 6-(1,3-dimethylpyrazol-4-yl)-1-methyl-3,4-dihydro-2H-quinoline-7-carbonitrile is Cc1nn(C)cc1-c1cc2c(cc1C#N)N(C)CCC2.
What is the InChIKey of 6-(1,3-dimethylpyrazol-4-yl)-1-methyl-3,4-dihydro-2H-quinoline-7-carbonitrile?
The InChIKey is CMVMLEAWGSGYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-11-15(10-20(3)18-11)14-7-12-5-4-6-19(2)16(12)8-13(14)9-17/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 6-(1,3-dimethylpyrazol-4-yl)-1-methyl-3,4-dihydro-2H-quinoline-7-carbonitrile?
6-(1,3-dimethylpyrazol-4-yl)-1-methyl-3,4-dihydro-2H-quinoline-7-carbonitrile has a molecular weight of 266.35 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dimethylpyrazol-4-yl)-1-methyl-3,4-dihydro-2H-quinoline-7-carbonitrile is sourced from PubChem (CID 121373178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).