3-[(E)-3-(3,5-dimethylmorpholin-4-yl)-3-oxoprop-1-enyl]-1H-quinolin-2-one

C18H20N2O3 — CID 110631195

IUPAC3-[(E)-3-(3,5-dimethylmorpholin-4-yl)-3-oxoprop-1-enyl]-1H-quinolin-2-one
SMILESCC1COCC(C)N1C(=O)/C=C/c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C18H20N2O3/c1-12-10-23-11-13(2)20(12)17(21)8-7-15-9-14-5-3-4-6-16(14)19-18(15)22/h3-9,12-13H,10-11H2,1-2H3,(H,19,22)/b8-7+
InChIKeyYKVXFQDQUGIBDM-BQYQJAHWSA-N
MW312.37 g/mol
LogP2.18
Rot. Bonds2

About 3-[(E)-3-(3,5-dimethylmorpholin-4-yl)-3-oxoprop-1-enyl]-1H-quinolin-2-one

3-[(E)-3-(3,5-dimethylmorpholin-4-yl)-3-oxoprop-1-enyl]-1H-quinolin-2-one (PubChem CID 110631195) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-[(E)-3-(3,5-dimethylmorpholin-4-yl)-3-oxoprop-1-enyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(E)-3-(3,5-dimethylmorpholin-4-yl)-3-oxoprop-1-enyl]-1H-quinolin-2-one
PubChem CID110631195
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-[(E)-3-(3,5-dimethylmorpholin-4-yl)-3-oxoprop-1-enyl]-1H-quinolin-2-one
SMILESCC1COCC(C)N1C(=O)/C=C/c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C18H20N2O3/c1-12-10-23-11-13(2)20(12)17(21)8-7-15-9-14-5-3-4-6-16(14)19-18(15)22/h3-9,12-13H,10-11H2,1-2H3,(H,19,22)/b8-7+
InChIKeyYKVXFQDQUGIBDM-BQYQJAHWSA-N
XLogP2.18
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-1H-quinolin-2-one
CID 110407799
tert-butyl 4-[(E)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enoyl]piperazine-1-carboxylate
CID 110605664
4-[(E)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enoyl]piperazine-1-carbaldehyde
CID 110408570
3-[(E)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxoprop-1-enyl]-1H-quinolin-2-one
CID 110414474
3-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1H-quinolin-2-one
CID 34904119
3-[(E)-3-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-3-oxoprop-1-enyl]-1H-quinolin-2-one
CID 110613878
3-[3-(2,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one
CID 135339943
3-[(E)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]-1H-quinolin-2-one
CID 110414581
3-[3-(3-fluoro-4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one
CID 71898468
(E)-N-(3-acetamidophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
CID 110423772
3-[(E)-2-phenylethenyl]-1H-quinolin-2-one
CID 12867118
(E)-N-(2-fluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
CID 110420245

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-(3,5-dimethylmorpholin-4-yl)-3-oxoprop-1-enyl]-1H-quinolin-2-one?
The IUPAC name of 3-[(E)-3-(3,5-dimethylmorpholin-4-yl)-3-oxoprop-1-enyl]-1H-quinolin-2-one (CID 110631195) is 3-[(E)-3-(3,5-dimethylmorpholin-4-yl)-3-oxoprop-1-enyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[(E)-3-(3,5-dimethylmorpholin-4-yl)-3-oxoprop-1-enyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[(E)-3-(3,5-dimethylmorpholin-4-yl)-3-oxoprop-1-enyl]-1H-quinolin-2-one is CC1COCC(C)N1C(=O)/C=C/c1cc2ccccc2[nH]c1=O.
What is the InChIKey of 3-[(E)-3-(3,5-dimethylmorpholin-4-yl)-3-oxoprop-1-enyl]-1H-quinolin-2-one?
The InChIKey is YKVXFQDQUGIBDM-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-10-23-11-13(2)20(12)17(21)8-7-15-9-14-5-3-4-6-16(14)19-18(15)22/h3-9,12-13H,10-11H2,1-2H3,(H,19,22)/b8-7+.
What are the key properties of 3-[(E)-3-(3,5-dimethylmorpholin-4-yl)-3-oxoprop-1-enyl]-1H-quinolin-2-one?
3-[(E)-3-(3,5-dimethylmorpholin-4-yl)-3-oxoprop-1-enyl]-1H-quinolin-2-one has a molecular weight of 312.37 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-(3,5-dimethylmorpholin-4-yl)-3-oxoprop-1-enyl]-1H-quinolin-2-one is sourced from PubChem (CID 110631195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).