(4-ethoxy-3-methoxyphenyl)-(4-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C20H23NO4 — CID 22339201

IUPAC(4-ethoxy-3-methoxyphenyl)-(4-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCCOc1ccc(C(=O)N2c3ccccc3C(O)CC2C)cc1OC
InChIInChI=1S/C20H23NO4/c1-4-25-18-10-9-14(12-19(18)24-3)20(23)21-13(2)11-17(22)15-7-5-6-8-16(15)21/h5-10,12-13,17,22H,4,11H2,1-3H3
InChIKeyQAANAVWGTNEUKT-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.57
Rot. Bonds4

About (4-ethoxy-3-methoxyphenyl)-(4-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

(4-ethoxy-3-methoxyphenyl)-(4-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 22339201) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is (4-ethoxy-3-methoxyphenyl)-(4-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(4-ethoxy-3-methoxyphenyl)-(4-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID22339201
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name(4-ethoxy-3-methoxyphenyl)-(4-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCCOc1ccc(C(=O)N2c3ccccc3C(O)CC2C)cc1OC
InChIInChI=1S/C20H23NO4/c1-4-25-18-10-9-14(12-19(18)24-3)20(23)21-13(2)11-17(22)15-7-5-6-8-16(15)21/h5-10,12-13,17,22H,4,11H2,1-3H3
InChIKeyQAANAVWGTNEUKT-UHFFFAOYSA-N
XLogP3.57
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-3-methoxyphenyl)-(4-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (4-ethoxy-3-methoxyphenyl)-(4-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 22339201) is (4-ethoxy-3-methoxyphenyl)-(4-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (4-ethoxy-3-methoxyphenyl)-(4-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (4-ethoxy-3-methoxyphenyl)-(4-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is CCOc1ccc(C(=O)N2c3ccccc3C(O)CC2C)cc1OC.
What is the InChIKey of (4-ethoxy-3-methoxyphenyl)-(4-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is QAANAVWGTNEUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-4-25-18-10-9-14(12-19(18)24-3)20(23)21-13(2)11-17(22)15-7-5-6-8-16(15)21/h5-10,12-13,17,22H,4,11H2,1-3H3.
What are the key properties of (4-ethoxy-3-methoxyphenyl)-(4-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(4-ethoxy-3-methoxyphenyl)-(4-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 341.41 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-3-methoxyphenyl)-(4-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 22339201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).