4-[4-methyl-7-(2-methyl-5-oxopyrrolidin-1-yl)quinolin-2-yl]-1H-pyrazole-5-carboxylic acid

C19H18N4O3 — CID 171914668

IUPAC4-[4-methyl-7-(2-methyl-5-oxopyrrolidin-1-yl)quinolin-2-yl]-1H-pyrazole-5-carboxylic acid
SMILESCc1cc(-c2cn[nH]c2C(=O)O)nc2cc(N3C(=O)CCC3C)ccc12
InChIInChI=1S/C19H18N4O3/c1-10-7-15(14-9-20-22-18(14)19(25)26)21-16-8-12(4-5-13(10)16)23-11(2)3-6-17(23)24/h4-5,7-9,11H,3,6H2,1-2H3,(H,20,22)(H,25,26)
InChIKeyLOMDQKORARFLDP-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.15
Rot. Bonds3

About 4-[4-methyl-7-(2-methyl-5-oxopyrrolidin-1-yl)quinolin-2-yl]-1H-pyrazole-5-carboxylic acid

4-[4-methyl-7-(2-methyl-5-oxopyrrolidin-1-yl)quinolin-2-yl]-1H-pyrazole-5-carboxylic acid (PubChem CID 171914668) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 4-[4-methyl-7-(2-methyl-5-oxopyrrolidin-1-yl)quinolin-2-yl]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[4-methyl-7-(2-methyl-5-oxopyrrolidin-1-yl)quinolin-2-yl]-1H-pyrazole-5-carboxylic acid
PubChem CID171914668
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name4-[4-methyl-7-(2-methyl-5-oxopyrrolidin-1-yl)quinolin-2-yl]-1H-pyrazole-5-carboxylic acid
SMILESCc1cc(-c2cn[nH]c2C(=O)O)nc2cc(N3C(=O)CCC3C)ccc12
InChIInChI=1S/C19H18N4O3/c1-10-7-15(14-9-20-22-18(14)19(25)26)21-16-8-12(4-5-13(10)16)23-11(2)3-6-17(23)24/h4-5,7-9,11H,3,6H2,1-2H3,(H,20,22)(H,25,26)
InChIKeyLOMDQKORARFLDP-UHFFFAOYSA-N
XLogP3.15
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-7-(2-methyl-5-oxopyrrolidin-1-yl)quinolin-2-yl]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-[4-methyl-7-(2-methyl-5-oxopyrrolidin-1-yl)quinolin-2-yl]-1H-pyrazole-5-carboxylic acid (CID 171914668) is 4-[4-methyl-7-(2-methyl-5-oxopyrrolidin-1-yl)quinolin-2-yl]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[4-methyl-7-(2-methyl-5-oxopyrrolidin-1-yl)quinolin-2-yl]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-[4-methyl-7-(2-methyl-5-oxopyrrolidin-1-yl)quinolin-2-yl]-1H-pyrazole-5-carboxylic acid is Cc1cc(-c2cn[nH]c2C(=O)O)nc2cc(N3C(=O)CCC3C)ccc12.
What is the InChIKey of 4-[4-methyl-7-(2-methyl-5-oxopyrrolidin-1-yl)quinolin-2-yl]-1H-pyrazole-5-carboxylic acid?
The InChIKey is LOMDQKORARFLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-10-7-15(14-9-20-22-18(14)19(25)26)21-16-8-12(4-5-13(10)16)23-11(2)3-6-17(23)24/h4-5,7-9,11H,3,6H2,1-2H3,(H,20,22)(H,25,26).
What are the key properties of 4-[4-methyl-7-(2-methyl-5-oxopyrrolidin-1-yl)quinolin-2-yl]-1H-pyrazole-5-carboxylic acid?
4-[4-methyl-7-(2-methyl-5-oxopyrrolidin-1-yl)quinolin-2-yl]-1H-pyrazole-5-carboxylic acid has a molecular weight of 350.38 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-7-(2-methyl-5-oxopyrrolidin-1-yl)quinolin-2-yl]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 171914668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).