2-amino-4-(3-methyl-5-oxo-1,2-dihydropyrazole-4-carbonyl)quinoline-3-carbonitrile

C15H11N5O2 — CID 66490139

IUPAC2-amino-4-(3-methyl-5-oxo-1,2-dihydropyrazole-4-carbonyl)quinoline-3-carbonitrile
SMILESCc1[nH][nH]c(=O)c1C(=O)c1c(C#N)c(N)nc2ccccc12
InChIInChI=1S/C15H11N5O2/c1-7-11(15(22)20-19-7)13(21)12-8-4-2-3-5-10(8)18-14(17)9(12)6-16/h2-5H,1H3,(H2,17,18)(H2,19,20,22)
InChIKeyJJMRAJQRILHKCH-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.24
Rot. Bonds2

About 2-amino-4-(3-methyl-5-oxo-1,2-dihydropyrazole-4-carbonyl)quinoline-3-carbonitrile

2-amino-4-(3-methyl-5-oxo-1,2-dihydropyrazole-4-carbonyl)quinoline-3-carbonitrile (PubChem CID 66490139) has the molecular formula C15H11N5O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-amino-4-(3-methyl-5-oxo-1,2-dihydropyrazole-4-carbonyl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-methyl-5-oxo-1,2-dihydropyrazole-4-carbonyl)quinoline-3-carbonitrile
PubChem CID66490139
Molecular FormulaC15H11N5O2
Molecular Weight293.29 g/mol
Exact Mass293.09
IUPAC Name2-amino-4-(3-methyl-5-oxo-1,2-dihydropyrazole-4-carbonyl)quinoline-3-carbonitrile
SMILESCc1[nH][nH]c(=O)c1C(=O)c1c(C#N)c(N)nc2ccccc12
InChIInChI=1S/C15H11N5O2/c1-7-11(15(22)20-19-7)13(21)12-8-4-2-3-5-10(8)18-14(17)9(12)6-16/h2-5H,1H3,(H2,17,18)(H2,19,20,22)
InChIKeyJJMRAJQRILHKCH-UHFFFAOYSA-N
XLogP1.24
TPSA128.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-Aminoquinoline-4-carboxamide
CID 230770
2-Methylquinoline-4-carbohydrazide
CID 456702
4-Quinolinecarboxylic acid, 2-((2-methylphenyl)amino)-, hydrazide
CID 3077551
4-Quinolinecarboxylic acid, 2-(phenylamino)-, 2-(chloroacetyl)hydrazide
CID 3077552
2-Ethylquinoline-4-carbohydrazide
CID 345256
2-Aminoquinoline-3-carbohydrazide
CID 83381257
2-Propylquinoline-4-carbohydrazide
CID 345257
2-Hydrazinocinchoninic acid isopropylamide
CID 15321630
4-Pivaloyl-aminoquinoline
CID 129860215
2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide
CID 62238179
N-(2,2-difluoroethyl)-2-hydrazinyl-N-methylquinoline-4-carboxamide
CID 116317435
N'-(4-methylquinolin-2-yl)benzohydrazide
CID 899710

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-methyl-5-oxo-1,2-dihydropyrazole-4-carbonyl)quinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-methyl-5-oxo-1,2-dihydropyrazole-4-carbonyl)quinoline-3-carbonitrile (CID 66490139) is 2-amino-4-(3-methyl-5-oxo-1,2-dihydropyrazole-4-carbonyl)quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-methyl-5-oxo-1,2-dihydropyrazole-4-carbonyl)quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-methyl-5-oxo-1,2-dihydropyrazole-4-carbonyl)quinoline-3-carbonitrile is Cc1[nH][nH]c(=O)c1C(=O)c1c(C#N)c(N)nc2ccccc12.
What is the InChIKey of 2-amino-4-(3-methyl-5-oxo-1,2-dihydropyrazole-4-carbonyl)quinoline-3-carbonitrile?
The InChIKey is JJMRAJQRILHKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O2/c1-7-11(15(22)20-19-7)13(21)12-8-4-2-3-5-10(8)18-14(17)9(12)6-16/h2-5H,1H3,(H2,17,18)(H2,19,20,22).
What are the key properties of 2-amino-4-(3-methyl-5-oxo-1,2-dihydropyrazole-4-carbonyl)quinoline-3-carbonitrile?
2-amino-4-(3-methyl-5-oxo-1,2-dihydropyrazole-4-carbonyl)quinoline-3-carbonitrile has a molecular weight of 293.29 g/mol, XLogP of 1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-methyl-5-oxo-1,2-dihydropyrazole-4-carbonyl)quinoline-3-carbonitrile is sourced from PubChem (CID 66490139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).