4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one

C12H15NO4 — CID 84628790

IUPAC4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(c(OC)c1)C(CO)CC(=O)N2
InChIInChI=1S/C12H15NO4/c1-16-8-4-9-12(10(5-8)17-2)7(6-14)3-11(15)13-9/h4-5,7,14H,3,6H2,1-2H3,(H,13,15)
InChIKeyLNJIBGXEMSNGCZ-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.12
Rot. Bonds3

About 4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one

4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 84628790) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID84628790
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(c(OC)c1)C(CO)CC(=O)N2
InChIInChI=1S/C12H15NO4/c1-16-8-4-9-12(10(5-8)17-2)7(6-14)3-11(15)13-9/h4-5,7,14H,3,6H2,1-2H3,(H,13,15)
InChIKeyLNJIBGXEMSNGCZ-UHFFFAOYSA-N
XLogP1.12
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (CID 84628790) is 4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is COc1cc2c(c(OC)c1)C(CO)CC(=O)N2.
What is the InChIKey of 4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is LNJIBGXEMSNGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-16-8-4-9-12(10(5-8)17-2)7(6-14)3-11(15)13-9/h4-5,7,14H,3,6H2,1-2H3,(H,13,15).
What are the key properties of 4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 237.25 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 84628790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).