4-[4-(diethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one

C21H26N2O3 — CID 3244513

IUPAC4-[4-(diethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCCN(CC)c1ccc(C2CC(=O)Nc3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C21H26N2O3/c1-5-23(6-2)15-9-7-14(8-10-15)16-12-21(24)22-18-13-20(26-4)19(25-3)11-17(16)18/h7-11,13,16H,5-6,12H2,1-4H3,(H,22,24)
InChIKeyOAPZIXMZNKSXFU-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.02
Rot. Bonds6

About 4-[4-(diethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one

4-[4-(diethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 3244513) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-[4-(diethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[4-(diethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID3244513
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name4-[4-(diethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCCN(CC)c1ccc(C2CC(=O)Nc3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C21H26N2O3/c1-5-23(6-2)15-9-7-14(8-10-15)16-12-21(24)22-18-13-20(26-4)19(25-3)11-17(16)18/h7-11,13,16H,5-6,12H2,1-4H3,(H,22,24)
InChIKeyOAPZIXMZNKSXFU-UHFFFAOYSA-N
XLogP4.02
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(diethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-[4-(diethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (CID 3244513) is 4-[4-(diethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-[4-(diethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-[4-(diethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is CCN(CC)c1ccc(C2CC(=O)Nc3cc(OC)c(OC)cc32)cc1.
What is the InChIKey of 4-[4-(diethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is OAPZIXMZNKSXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-5-23(6-2)15-9-7-14(8-10-15)16-12-21(24)22-18-13-20(26-4)19(25-3)11-17(16)18/h7-11,13,16H,5-6,12H2,1-4H3,(H,22,24).
What are the key properties of 4-[4-(diethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
4-[4-(diethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 354.45 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(diethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 3244513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).