2-methyl-2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazol-1-yl]propanenitrile

C17H16N4O — CID 166457794

IUPAC2-methyl-2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazol-1-yl]propanenitrile
SMILESCC(C)(C#N)n1cc(Cc2cc3ccccc3[nH]c2=O)cn1
InChIInChI=1S/C17H16N4O/c1-17(2,11-18)21-10-12(9-19-21)7-14-8-13-5-3-4-6-15(13)20-16(14)22/h3-6,8-10H,7H2,1-2H3,(H,20,22)
InChIKeyGSMVFOHKRLBEKG-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.57
Rot. Bonds3

About 2-methyl-2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazol-1-yl]propanenitrile

2-methyl-2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazol-1-yl]propanenitrile (PubChem CID 166457794) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-methyl-2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazol-1-yl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazol-1-yl]propanenitrile
PubChem CID166457794
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name2-methyl-2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazol-1-yl]propanenitrile
SMILESCC(C)(C#N)n1cc(Cc2cc3ccccc3[nH]c2=O)cn1
InChIInChI=1S/C17H16N4O/c1-17(2,11-18)21-10-12(9-19-21)7-14-8-13-5-3-4-6-15(13)20-16(14)22/h3-6,8-10H,7H2,1-2H3,(H,20,22)
InChIKeyGSMVFOHKRLBEKG-UHFFFAOYSA-N
XLogP2.57
TPSA74.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 166458088
N-(2-cyanopropan-2-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110406225
3-[[4-(methylsulfanylmethyl)phenyl]methyl]-1H-quinolin-2-one
CID 166457923
3-(2H-benzotriazol-5-ylmethyl)-1H-quinolin-2-one
CID 166457863
2,2-dimethyl-3-(2-oxo-1H-quinolin-3-yl)propanoic acid
CID 84631810
3-[(1-methylindol-5-yl)methyl]-1H-quinolin-2-one
CID 167291231
3-[(2-methylbut-3-yn-2-ylamino)methyl]-1H-quinolin-2-one
CID 63999144
ethane;3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-1H-quinolin-2-one
CID 166457788
3-[[4-[(2R)-2-methyl-5-oxopyrrolidin-2-yl]phenyl]methyl]-1H-quinolin-2-one
CID 175839152
3-[(2-acetyl-1,3-dihydroisoindol-5-yl)methyl]-1H-quinolin-2-one
CID 166457969
8-chloro-6-[(2-oxo-1H-quinolin-3-yl)methyl]-4H-1,4-benzoxazin-3-one
CID 166458027
3-[(3-methylanilino)methyl]-1H-quinolin-2-one
CID 944018

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazol-1-yl]propanenitrile?
The IUPAC name of 2-methyl-2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazol-1-yl]propanenitrile (CID 166457794) is 2-methyl-2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazol-1-yl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazol-1-yl]propanenitrile?
The canonical SMILES for 2-methyl-2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazol-1-yl]propanenitrile is CC(C)(C#N)n1cc(Cc2cc3ccccc3[nH]c2=O)cn1.
What is the InChIKey of 2-methyl-2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazol-1-yl]propanenitrile?
The InChIKey is GSMVFOHKRLBEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-17(2,11-18)21-10-12(9-19-21)7-14-8-13-5-3-4-6-15(13)20-16(14)22/h3-6,8-10H,7H2,1-2H3,(H,20,22).
What are the key properties of 2-methyl-2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazol-1-yl]propanenitrile?
2-methyl-2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazol-1-yl]propanenitrile has a molecular weight of 292.34 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazol-1-yl]propanenitrile is sourced from PubChem (CID 166457794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).