2-(5,8-dimethyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetic acid

C14H13N3O3 — CID 59004239

IUPAC2-(5,8-dimethyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetic acid
SMILESCc1ccc2c(c1)c1c(cnn1CC(=O)O)c(=O)n2C
InChIInChI=1S/C14H13N3O3/c1-8-3-4-11-9(5-8)13-10(14(20)16(11)2)6-15-17(13)7-12(18)19/h3-6H,7H2,1-2H3,(H,18,19)
InChIKeyLTNALXSNQABFLB-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.28
Rot. Bonds2

About 2-(5,8-dimethyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetic acid

2-(5,8-dimethyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetic acid (PubChem CID 59004239) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-(5,8-dimethyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5,8-dimethyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetic acid
PubChem CID59004239
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name2-(5,8-dimethyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetic acid
SMILESCc1ccc2c(c1)c1c(cnn1CC(=O)O)c(=O)n2C
InChIInChI=1S/C14H13N3O3/c1-8-3-4-11-9(5-8)13-10(14(20)16(11)2)6-15-17(13)7-12(18)19/h3-6H,7H2,1-2H3,(H,18,19)
InChIKeyLTNALXSNQABFLB-UHFFFAOYSA-N
XLogP1.28
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5,8-dimethyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetic acid?
The IUPAC name of 2-(5,8-dimethyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetic acid (CID 59004239) is 2-(5,8-dimethyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetic acid.
What is the SMILES notation for 2-(5,8-dimethyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetic acid?
The canonical SMILES for 2-(5,8-dimethyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetic acid is Cc1ccc2c(c1)c1c(cnn1CC(=O)O)c(=O)n2C.
What is the InChIKey of 2-(5,8-dimethyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetic acid?
The InChIKey is LTNALXSNQABFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-8-3-4-11-9(5-8)13-10(14(20)16(11)2)6-15-17(13)7-12(18)19/h3-6H,7H2,1-2H3,(H,18,19).
What are the key properties of 2-(5,8-dimethyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetic acid?
2-(5,8-dimethyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetic acid has a molecular weight of 271.28 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,8-dimethyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetic acid is sourced from PubChem (CID 59004239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).