1-methyl-6-pyrimidin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile

C15H14N4 — CID 121385708

IUPAC1-methyl-6-pyrimidin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile
SMILESCN1CCCc2cc(-c3ccncn3)c(C#N)cc21
InChIInChI=1S/C15H14N4/c1-19-6-2-3-11-7-13(12(9-16)8-15(11)19)14-4-5-17-10-18-14/h4-5,7-8,10H,2-3,6H2,1H3
InChIKeyAMDLFSPNCBSFLZ-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.40
Rot. Bonds1

About 1-methyl-6-pyrimidin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile

1-methyl-6-pyrimidin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile (PubChem CID 121385708) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-methyl-6-pyrimidin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile.

Molecular Properties

Compound Name1-methyl-6-pyrimidin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile
PubChem CID121385708
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name1-methyl-6-pyrimidin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile
SMILESCN1CCCc2cc(-c3ccncn3)c(C#N)cc21
InChIInChI=1S/C15H14N4/c1-19-6-2-3-11-7-13(12(9-16)8-15(11)19)14-4-5-17-10-18-14/h4-5,7-8,10H,2-3,6H2,1H3
InChIKeyAMDLFSPNCBSFLZ-UHFFFAOYSA-N
XLogP2.40
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-pyrimidin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile?
The IUPAC name of 1-methyl-6-pyrimidin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile (CID 121385708) is 1-methyl-6-pyrimidin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile.
What is the SMILES notation for 1-methyl-6-pyrimidin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile?
The canonical SMILES for 1-methyl-6-pyrimidin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile is CN1CCCc2cc(-c3ccncn3)c(C#N)cc21.
What is the InChIKey of 1-methyl-6-pyrimidin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile?
The InChIKey is AMDLFSPNCBSFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-19-6-2-3-11-7-13(12(9-16)8-15(11)19)14-4-5-17-10-18-14/h4-5,7-8,10H,2-3,6H2,1H3.
What are the key properties of 1-methyl-6-pyrimidin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile?
1-methyl-6-pyrimidin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile has a molecular weight of 250.31 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-pyrimidin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile is sourced from PubChem (CID 121385708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).