2-(9-methylimidazo[1,2-a]quinolin-1-yl)acetic acid

C14H12N2O2 — CID 115043576

IUPAC2-(9-methylimidazo[1,2-a]quinolin-1-yl)acetic acid
SMILESCc1cccc2ccc3ncc(CC(=O)O)n3c12
InChIInChI=1S/C14H12N2O2/c1-9-3-2-4-10-5-6-12-15-8-11(7-13(17)18)16(12)14(9)10/h2-6,8H,7H2,1H3,(H,17,18)
InChIKeyVDYXHCCADZHCIQ-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.42
Rot. Bonds2

About 2-(9-methylimidazo[1,2-a]quinolin-1-yl)acetic acid

2-(9-methylimidazo[1,2-a]quinolin-1-yl)acetic acid (PubChem CID 115043576) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(9-methylimidazo[1,2-a]quinolin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(9-methylimidazo[1,2-a]quinolin-1-yl)acetic acid
PubChem CID115043576
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-(9-methylimidazo[1,2-a]quinolin-1-yl)acetic acid
SMILESCc1cccc2ccc3ncc(CC(=O)O)n3c12
InChIInChI=1S/C14H12N2O2/c1-9-3-2-4-10-5-6-12-15-8-11(7-13(17)18)16(12)14(9)10/h2-6,8H,7H2,1H3,(H,17,18)
InChIKeyVDYXHCCADZHCIQ-UHFFFAOYSA-N
XLogP2.42
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(9-methylimidazo[1,2-a]quinolin-1-yl)acetic acid?
The IUPAC name of 2-(9-methylimidazo[1,2-a]quinolin-1-yl)acetic acid (CID 115043576) is 2-(9-methylimidazo[1,2-a]quinolin-1-yl)acetic acid.
What is the SMILES notation for 2-(9-methylimidazo[1,2-a]quinolin-1-yl)acetic acid?
The canonical SMILES for 2-(9-methylimidazo[1,2-a]quinolin-1-yl)acetic acid is Cc1cccc2ccc3ncc(CC(=O)O)n3c12.
What is the InChIKey of 2-(9-methylimidazo[1,2-a]quinolin-1-yl)acetic acid?
The InChIKey is VDYXHCCADZHCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-9-3-2-4-10-5-6-12-15-8-11(7-13(17)18)16(12)14(9)10/h2-6,8H,7H2,1H3,(H,17,18).
What are the key properties of 2-(9-methylimidazo[1,2-a]quinolin-1-yl)acetic acid?
2-(9-methylimidazo[1,2-a]quinolin-1-yl)acetic acid has a molecular weight of 240.26 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methylimidazo[1,2-a]quinolin-1-yl)acetic acid is sourced from PubChem (CID 115043576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).