3-(2,3-dihydroindole-1-carbonyl)-4-hydroxy-8-methoxy-1-methylquinolin-2-one

C20H18N2O4 — CID 67841246

IUPAC3-(2,3-dihydroindole-1-carbonyl)-4-hydroxy-8-methoxy-1-methylquinolin-2-one
SMILESCOc1cccc2c(O)c(C(=O)N3CCc4ccccc43)c(=O)n(C)c12
InChIInChI=1S/C20H18N2O4/c1-21-17-13(7-5-9-15(17)26-2)18(23)16(19(21)24)20(25)22-11-10-12-6-3-4-8-14(12)22/h3-9,23H,10-11H2,1-2H3
InChIKeyQRAROYGJHZKTOL-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.46
Rot. Bonds2

About 3-(2,3-dihydroindole-1-carbonyl)-4-hydroxy-8-methoxy-1-methylquinolin-2-one

3-(2,3-dihydroindole-1-carbonyl)-4-hydroxy-8-methoxy-1-methylquinolin-2-one (PubChem CID 67841246) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 3-(2,3-dihydroindole-1-carbonyl)-4-hydroxy-8-methoxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-(2,3-dihydroindole-1-carbonyl)-4-hydroxy-8-methoxy-1-methylquinolin-2-one
PubChem CID67841246
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name3-(2,3-dihydroindole-1-carbonyl)-4-hydroxy-8-methoxy-1-methylquinolin-2-one
SMILESCOc1cccc2c(O)c(C(=O)N3CCc4ccccc43)c(=O)n(C)c12
InChIInChI=1S/C20H18N2O4/c1-21-17-13(7-5-9-15(17)26-2)18(23)16(19(21)24)20(25)22-11-10-12-6-3-4-8-14(12)22/h3-9,23H,10-11H2,1-2H3
InChIKeyQRAROYGJHZKTOL-UHFFFAOYSA-N
XLogP2.46
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindole-1-carbonyl)-4-hydroxy-8-methoxy-1-methylquinolin-2-one?
The IUPAC name of 3-(2,3-dihydroindole-1-carbonyl)-4-hydroxy-8-methoxy-1-methylquinolin-2-one (CID 67841246) is 3-(2,3-dihydroindole-1-carbonyl)-4-hydroxy-8-methoxy-1-methylquinolin-2-one.
What is the SMILES notation for 3-(2,3-dihydroindole-1-carbonyl)-4-hydroxy-8-methoxy-1-methylquinolin-2-one?
The canonical SMILES for 3-(2,3-dihydroindole-1-carbonyl)-4-hydroxy-8-methoxy-1-methylquinolin-2-one is COc1cccc2c(O)c(C(=O)N3CCc4ccccc43)c(=O)n(C)c12.
What is the InChIKey of 3-(2,3-dihydroindole-1-carbonyl)-4-hydroxy-8-methoxy-1-methylquinolin-2-one?
The InChIKey is QRAROYGJHZKTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-21-17-13(7-5-9-15(17)26-2)18(23)16(19(21)24)20(25)22-11-10-12-6-3-4-8-14(12)22/h3-9,23H,10-11H2,1-2H3.
What are the key properties of 3-(2,3-dihydroindole-1-carbonyl)-4-hydroxy-8-methoxy-1-methylquinolin-2-one?
3-(2,3-dihydroindole-1-carbonyl)-4-hydroxy-8-methoxy-1-methylquinolin-2-one has a molecular weight of 350.37 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindole-1-carbonyl)-4-hydroxy-8-methoxy-1-methylquinolin-2-one is sourced from PubChem (CID 67841246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).