5-(8-hydroxy-4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyrazole-4-carbonitrile

C15H14N4O2 — CID 154846954

IUPAC5-(8-hydroxy-4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyrazole-4-carbonitrile
SMILESCC1CCN(C(=O)c2[nH]ncc2C#N)c2c(O)cccc21
InChIInChI=1S/C15H14N4O2/c1-9-5-6-19(14-11(9)3-2-4-12(14)20)15(21)13-10(7-16)8-17-18-13/h2-4,8-9,20H,5-6H2,1H3,(H,17,18)
InChIKeyIAOBOODLKIJWSO-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.14
Rot. Bonds1

About 5-(8-hydroxy-4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyrazole-4-carbonitrile

5-(8-hydroxy-4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyrazole-4-carbonitrile (PubChem CID 154846954) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-(8-hydroxy-4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-(8-hydroxy-4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyrazole-4-carbonitrile
PubChem CID154846954
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name5-(8-hydroxy-4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyrazole-4-carbonitrile
SMILESCC1CCN(C(=O)c2[nH]ncc2C#N)c2c(O)cccc21
InChIInChI=1S/C15H14N4O2/c1-9-5-6-19(14-11(9)3-2-4-12(14)20)15(21)13-10(7-16)8-17-18-13/h2-4,8-9,20H,5-6H2,1H3,(H,17,18)
InChIKeyIAOBOODLKIJWSO-UHFFFAOYSA-N
XLogP2.14
TPSA93.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(8-hydroxy-4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-(8-hydroxy-4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyrazole-4-carbonitrile (CID 154846954) is 5-(8-hydroxy-4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-(8-hydroxy-4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-(8-hydroxy-4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyrazole-4-carbonitrile is CC1CCN(C(=O)c2[nH]ncc2C#N)c2c(O)cccc21.
What is the InChIKey of 5-(8-hydroxy-4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyrazole-4-carbonitrile?
The InChIKey is IAOBOODLKIJWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-9-5-6-19(14-11(9)3-2-4-12(14)20)15(21)13-10(7-16)8-17-18-13/h2-4,8-9,20H,5-6H2,1H3,(H,17,18).
What are the key properties of 5-(8-hydroxy-4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyrazole-4-carbonitrile?
5-(8-hydroxy-4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyrazole-4-carbonitrile has a molecular weight of 282.30 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-hydroxy-4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 154846954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).