4-(2,3-dimethylmorpholine-4-carbonyl)-3,4-dihydro-1H-quinolin-2-one

C16H20N2O3 — CID 71915920

IUPAC4-(2,3-dimethylmorpholine-4-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC1OCCN(C(=O)C2CC(=O)Nc3ccccc32)C1C
InChIInChI=1S/C16H20N2O3/c1-10-11(2)21-8-7-18(10)16(20)13-9-15(19)17-14-6-4-3-5-12(13)14/h3-6,10-11,13H,7-9H2,1-2H3,(H,17,19)
InChIKeyNWZQVLVSJHDLOV-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.75
Rot. Bonds1

About 4-(2,3-dimethylmorpholine-4-carbonyl)-3,4-dihydro-1H-quinolin-2-one

4-(2,3-dimethylmorpholine-4-carbonyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 71915920) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-(2,3-dimethylmorpholine-4-carbonyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(2,3-dimethylmorpholine-4-carbonyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID71915920
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-(2,3-dimethylmorpholine-4-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC1OCCN(C(=O)C2CC(=O)Nc3ccccc32)C1C
InChIInChI=1S/C16H20N2O3/c1-10-11(2)21-8-7-18(10)16(20)13-9-15(19)17-14-6-4-3-5-12(13)14/h3-6,10-11,13H,7-9H2,1-2H3,(H,17,19)
InChIKeyNWZQVLVSJHDLOV-UHFFFAOYSA-N
XLogP1.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylmorpholine-4-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(2,3-dimethylmorpholine-4-carbonyl)-3,4-dihydro-1H-quinolin-2-one (CID 71915920) is 4-(2,3-dimethylmorpholine-4-carbonyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(2,3-dimethylmorpholine-4-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(2,3-dimethylmorpholine-4-carbonyl)-3,4-dihydro-1H-quinolin-2-one is CC1OCCN(C(=O)C2CC(=O)Nc3ccccc32)C1C.
What is the InChIKey of 4-(2,3-dimethylmorpholine-4-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NWZQVLVSJHDLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-11(2)21-8-7-18(10)16(20)13-9-15(19)17-14-6-4-3-5-12(13)14/h3-6,10-11,13H,7-9H2,1-2H3,(H,17,19).
What are the key properties of 4-(2,3-dimethylmorpholine-4-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
4-(2,3-dimethylmorpholine-4-carbonyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 288.35 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylmorpholine-4-carbonyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 71915920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).