7-(1-methylpyrazol-4-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile

C17H17N5 — CID 71553439

IUPAC7-(1-methylpyrazol-4-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile
SMILESCC(C)Nc1c(C#N)cnc2cc(-c3cnn(C)c3)ccc12
InChIInChI=1S/C17H17N5/c1-11(2)21-17-13(7-18)8-19-16-6-12(4-5-15(16)17)14-9-20-22(3)10-14/h4-6,8-11H,1-3H3,(H,19,21)
InChIKeyXXPMZJXWFXBNBY-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.33
Rot. Bonds3

About 7-(1-methylpyrazol-4-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile

7-(1-methylpyrazol-4-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile (PubChem CID 71553439) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 7-(1-methylpyrazol-4-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name7-(1-methylpyrazol-4-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile
PubChem CID71553439
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name7-(1-methylpyrazol-4-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile
SMILESCC(C)Nc1c(C#N)cnc2cc(-c3cnn(C)c3)ccc12
InChIInChI=1S/C17H17N5/c1-11(2)21-17-13(7-18)8-19-16-6-12(4-5-15(16)17)14-9-20-22(3)10-14/h4-6,8-11H,1-3H3,(H,19,21)
InChIKeyXXPMZJXWFXBNBY-UHFFFAOYSA-N
XLogP3.33
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(1-methylpyrazol-4-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile?
The IUPAC name of 7-(1-methylpyrazol-4-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile (CID 71553439) is 7-(1-methylpyrazol-4-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 7-(1-methylpyrazol-4-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile?
The canonical SMILES for 7-(1-methylpyrazol-4-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile is CC(C)Nc1c(C#N)cnc2cc(-c3cnn(C)c3)ccc12.
What is the InChIKey of 7-(1-methylpyrazol-4-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile?
The InChIKey is XXPMZJXWFXBNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c1-11(2)21-17-13(7-18)8-19-16-6-12(4-5-15(16)17)14-9-20-22(3)10-14/h4-6,8-11H,1-3H3,(H,19,21).
What are the key properties of 7-(1-methylpyrazol-4-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile?
7-(1-methylpyrazol-4-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile has a molecular weight of 291.36 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylpyrazol-4-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 71553439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).