(2-hydroxy-3,4,5-trimethoxyphenyl)-quinolin-4-ylmethanone

C19H17NO5 — CID 122182220

IUPAC(2-hydroxy-3,4,5-trimethoxyphenyl)-quinolin-4-ylmethanone
SMILESCOc1cc(C(=O)c2ccnc3ccccc23)c(O)c(OC)c1OC
InChIInChI=1S/C19H17NO5/c1-23-15-10-13(17(22)19(25-3)18(15)24-2)16(21)12-8-9-20-14-7-5-4-6-11(12)14/h4-10,22H,1-3H3
InChIKeyNKWUBPUMWDJNHW-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.20
Rot. Bonds5

About (2-hydroxy-3,4,5-trimethoxyphenyl)-quinolin-4-ylmethanone

(2-hydroxy-3,4,5-trimethoxyphenyl)-quinolin-4-ylmethanone (PubChem CID 122182220) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is (2-hydroxy-3,4,5-trimethoxyphenyl)-quinolin-4-ylmethanone.

Molecular Properties

Compound Name(2-hydroxy-3,4,5-trimethoxyphenyl)-quinolin-4-ylmethanone
PubChem CID122182220
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name(2-hydroxy-3,4,5-trimethoxyphenyl)-quinolin-4-ylmethanone
SMILESCOc1cc(C(=O)c2ccnc3ccccc23)c(O)c(OC)c1OC
InChIInChI=1S/C19H17NO5/c1-23-15-10-13(17(22)19(25-3)18(15)24-2)16(21)12-8-9-20-14-7-5-4-6-11(12)14/h4-10,22H,1-3H3
InChIKeyNKWUBPUMWDJNHW-UHFFFAOYSA-N
XLogP3.20
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3,4,5-trimethoxyphenyl)-quinolin-4-ylmethanone?
The IUPAC name of (2-hydroxy-3,4,5-trimethoxyphenyl)-quinolin-4-ylmethanone (CID 122182220) is (2-hydroxy-3,4,5-trimethoxyphenyl)-quinolin-4-ylmethanone.
What is the SMILES notation for (2-hydroxy-3,4,5-trimethoxyphenyl)-quinolin-4-ylmethanone?
The canonical SMILES for (2-hydroxy-3,4,5-trimethoxyphenyl)-quinolin-4-ylmethanone is COc1cc(C(=O)c2ccnc3ccccc23)c(O)c(OC)c1OC.
What is the InChIKey of (2-hydroxy-3,4,5-trimethoxyphenyl)-quinolin-4-ylmethanone?
The InChIKey is NKWUBPUMWDJNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-23-15-10-13(17(22)19(25-3)18(15)24-2)16(21)12-8-9-20-14-7-5-4-6-11(12)14/h4-10,22H,1-3H3.
What are the key properties of (2-hydroxy-3,4,5-trimethoxyphenyl)-quinolin-4-ylmethanone?
(2-hydroxy-3,4,5-trimethoxyphenyl)-quinolin-4-ylmethanone has a molecular weight of 339.35 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3,4,5-trimethoxyphenyl)-quinolin-4-ylmethanone is sourced from PubChem (CID 122182220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).