2-(3-amino-1-methyl-4-oxopyrazolo[4,5-c]quinolin-5-yl)acetic acid

C13H12N4O3 — CID 139607839

IUPAC2-(3-amino-1-methyl-4-oxopyrazolo[4,5-c]quinolin-5-yl)acetic acid
SMILESCn1nc(N)c2c(=O)n(CC(=O)O)c3ccccc3c21
InChIInChI=1S/C13H12N4O3/c1-16-11-7-4-2-3-5-8(7)17(6-9(18)19)13(20)10(11)12(14)15-16/h2-5H,6H2,1H3,(H2,14,15)(H,18,19)
InChIKeyCJZVLTQMNJKXCE-UHFFFAOYSA-N
MW272.26 g/mol
LogP0.56
Rot. Bonds2

About 2-(3-amino-1-methyl-4-oxopyrazolo[4,5-c]quinolin-5-yl)acetic acid

2-(3-amino-1-methyl-4-oxopyrazolo[4,5-c]quinolin-5-yl)acetic acid (PubChem CID 139607839) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-(3-amino-1-methyl-4-oxopyrazolo[4,5-c]quinolin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-amino-1-methyl-4-oxopyrazolo[4,5-c]quinolin-5-yl)acetic acid
PubChem CID139607839
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name2-(3-amino-1-methyl-4-oxopyrazolo[4,5-c]quinolin-5-yl)acetic acid
SMILESCn1nc(N)c2c(=O)n(CC(=O)O)c3ccccc3c21
InChIInChI=1S/C13H12N4O3/c1-16-11-7-4-2-3-5-8(7)17(6-9(18)19)13(20)10(11)12(14)15-16/h2-5H,6H2,1H3,(H2,14,15)(H,18,19)
InChIKeyCJZVLTQMNJKXCE-UHFFFAOYSA-N
XLogP0.56
TPSA103.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1-methyl-4-oxopyrazolo[4,5-c]quinolin-5-yl)acetic acid?
The IUPAC name of 2-(3-amino-1-methyl-4-oxopyrazolo[4,5-c]quinolin-5-yl)acetic acid (CID 139607839) is 2-(3-amino-1-methyl-4-oxopyrazolo[4,5-c]quinolin-5-yl)acetic acid.
What is the SMILES notation for 2-(3-amino-1-methyl-4-oxopyrazolo[4,5-c]quinolin-5-yl)acetic acid?
The canonical SMILES for 2-(3-amino-1-methyl-4-oxopyrazolo[4,5-c]quinolin-5-yl)acetic acid is Cn1nc(N)c2c(=O)n(CC(=O)O)c3ccccc3c21.
What is the InChIKey of 2-(3-amino-1-methyl-4-oxopyrazolo[4,5-c]quinolin-5-yl)acetic acid?
The InChIKey is CJZVLTQMNJKXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-16-11-7-4-2-3-5-8(7)17(6-9(18)19)13(20)10(11)12(14)15-16/h2-5H,6H2,1H3,(H2,14,15)(H,18,19).
What are the key properties of 2-(3-amino-1-methyl-4-oxopyrazolo[4,5-c]quinolin-5-yl)acetic acid?
2-(3-amino-1-methyl-4-oxopyrazolo[4,5-c]quinolin-5-yl)acetic acid has a molecular weight of 272.26 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1-methyl-4-oxopyrazolo[4,5-c]quinolin-5-yl)acetic acid is sourced from PubChem (CID 139607839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).