2,3-dihydroxypropyl imidazo[1,2-a]quinoline-2-carboxylate

C15H14N2O4 — CID 12763991

IUPAC2,3-dihydroxypropyl imidazo[1,2-a]quinoline-2-carboxylate
SMILESO=C(OCC(O)CO)c1cn2c(ccc3ccccc32)n1
InChIInChI=1S/C15H14N2O4/c18-8-11(19)9-21-15(20)12-7-17-13-4-2-1-3-10(13)5-6-14(17)16-12/h1-7,11,18-19H,8-9H2
InChIKeyRWLQVITVNNYBFT-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.00
Rot. Bonds4

About 2,3-dihydroxypropyl imidazo[1,2-a]quinoline-2-carboxylate

2,3-dihydroxypropyl imidazo[1,2-a]quinoline-2-carboxylate (PubChem CID 12763991) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2,3-dihydroxypropyl imidazo[1,2-a]quinoline-2-carboxylate.

Molecular Properties

Compound Name2,3-dihydroxypropyl imidazo[1,2-a]quinoline-2-carboxylate
PubChem CID12763991
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2,3-dihydroxypropyl imidazo[1,2-a]quinoline-2-carboxylate
SMILESO=C(OCC(O)CO)c1cn2c(ccc3ccccc32)n1
InChIInChI=1S/C15H14N2O4/c18-8-11(19)9-21-15(20)12-7-17-13-4-2-1-3-10(13)5-6-14(17)16-12/h1-7,11,18-19H,8-9H2
InChIKeyRWLQVITVNNYBFT-UHFFFAOYSA-N
XLogP1.00
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl imidazo[1,2-a]quinoline-2-carboxylate?
The IUPAC name of 2,3-dihydroxypropyl imidazo[1,2-a]quinoline-2-carboxylate (CID 12763991) is 2,3-dihydroxypropyl imidazo[1,2-a]quinoline-2-carboxylate.
What is the SMILES notation for 2,3-dihydroxypropyl imidazo[1,2-a]quinoline-2-carboxylate?
The canonical SMILES for 2,3-dihydroxypropyl imidazo[1,2-a]quinoline-2-carboxylate is O=C(OCC(O)CO)c1cn2c(ccc3ccccc32)n1.
What is the InChIKey of 2,3-dihydroxypropyl imidazo[1,2-a]quinoline-2-carboxylate?
The InChIKey is RWLQVITVNNYBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-8-11(19)9-21-15(20)12-7-17-13-4-2-1-3-10(13)5-6-14(17)16-12/h1-7,11,18-19H,8-9H2.
What are the key properties of 2,3-dihydroxypropyl imidazo[1,2-a]quinoline-2-carboxylate?
2,3-dihydroxypropyl imidazo[1,2-a]quinoline-2-carboxylate has a molecular weight of 286.29 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl imidazo[1,2-a]quinoline-2-carboxylate is sourced from PubChem (CID 12763991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).