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

C19H22N2O3 — CID 2964923

IUPAC4-[4-(dimethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)C(c1ccc(N(C)C)cc1)CC(=O)N2
InChIInChI=1S/C19H22N2O3/c1-21(2)13-7-5-12(6-8-13)14-10-19(22)20-16-11-18(24-4)17(23-3)9-15(14)16/h5-9,11,14H,10H2,1-4H3,(H,20,22)
InChIKeyIYVNZHRFQVDPDX-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.24
Rot. Bonds4

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

4-[4-(dimethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 2964923) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID2964923
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name4-[4-(dimethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)C(c1ccc(N(C)C)cc1)CC(=O)N2
InChIInChI=1S/C19H22N2O3/c1-21(2)13-7-5-12(6-8-13)14-10-19(22)20-16-11-18(24-4)17(23-3)9-15(14)16/h5-9,11,14H,10H2,1-4H3,(H,20,22)
InChIKeyIYVNZHRFQVDPDX-UHFFFAOYSA-N
XLogP3.24
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.24
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-(dimethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (CID 2964923) is 4-[4-(dimethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is COc1cc2c(cc1OC)C(c1ccc(N(C)C)cc1)CC(=O)N2.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is IYVNZHRFQVDPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-21(2)13-7-5-12(6-8-13)14-10-19(22)20-16-11-18(24-4)17(23-3)9-15(14)16/h5-9,11,14H,10H2,1-4H3,(H,20,22).
What are the key properties of 4-[4-(dimethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
4-[4-(dimethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 326.40 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 2964923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).