4-(2,2-dimethylpropylamino)-2-(1-methylpyrazol-4-yl)quinoline-3-carbonitrile

C19H21N5 — CID 140819464

IUPAC4-(2,2-dimethylpropylamino)-2-(1-methylpyrazol-4-yl)quinoline-3-carbonitrile
SMILESCn1cc(-c2nc3ccccc3c(NCC(C)(C)C)c2C#N)cn1
InChIInChI=1S/C19H21N5/c1-19(2,3)12-21-18-14-7-5-6-8-16(14)23-17(15(18)9-20)13-10-22-24(4)11-13/h5-8,10-11H,12H2,1-4H3,(H,21,23)
InChIKeyVQHYOFQZGOOYKQ-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.96
Rot. Bonds3

About 4-(2,2-dimethylpropylamino)-2-(1-methylpyrazol-4-yl)quinoline-3-carbonitrile

4-(2,2-dimethylpropylamino)-2-(1-methylpyrazol-4-yl)quinoline-3-carbonitrile (PubChem CID 140819464) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-(2,2-dimethylpropylamino)-2-(1-methylpyrazol-4-yl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(2,2-dimethylpropylamino)-2-(1-methylpyrazol-4-yl)quinoline-3-carbonitrile
PubChem CID140819464
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name4-(2,2-dimethylpropylamino)-2-(1-methylpyrazol-4-yl)quinoline-3-carbonitrile
SMILESCn1cc(-c2nc3ccccc3c(NCC(C)(C)C)c2C#N)cn1
InChIInChI=1S/C19H21N5/c1-19(2,3)12-21-18-14-7-5-6-8-16(14)23-17(15(18)9-20)13-10-22-24(4)11-13/h5-8,10-11H,12H2,1-4H3,(H,21,23)
InChIKeyVQHYOFQZGOOYKQ-UHFFFAOYSA-N
XLogP3.96
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropylamino)-2-(1-methylpyrazol-4-yl)quinoline-3-carbonitrile?
The IUPAC name of 4-(2,2-dimethylpropylamino)-2-(1-methylpyrazol-4-yl)quinoline-3-carbonitrile (CID 140819464) is 4-(2,2-dimethylpropylamino)-2-(1-methylpyrazol-4-yl)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(2,2-dimethylpropylamino)-2-(1-methylpyrazol-4-yl)quinoline-3-carbonitrile?
The canonical SMILES for 4-(2,2-dimethylpropylamino)-2-(1-methylpyrazol-4-yl)quinoline-3-carbonitrile is Cn1cc(-c2nc3ccccc3c(NCC(C)(C)C)c2C#N)cn1.
What is the InChIKey of 4-(2,2-dimethylpropylamino)-2-(1-methylpyrazol-4-yl)quinoline-3-carbonitrile?
The InChIKey is VQHYOFQZGOOYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-19(2,3)12-21-18-14-7-5-6-8-16(14)23-17(15(18)9-20)13-10-22-24(4)11-13/h5-8,10-11H,12H2,1-4H3,(H,21,23).
What are the key properties of 4-(2,2-dimethylpropylamino)-2-(1-methylpyrazol-4-yl)quinoline-3-carbonitrile?
4-(2,2-dimethylpropylamino)-2-(1-methylpyrazol-4-yl)quinoline-3-carbonitrile has a molecular weight of 319.41 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropylamino)-2-(1-methylpyrazol-4-yl)quinoline-3-carbonitrile is sourced from PubChem (CID 140819464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).