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

C16H16N2O3 — CID 110407799

IUPAC3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-1H-quinolin-2-one
SMILESO=C(/C=C/c1cc2ccccc2[nH]c1=O)N1CCOCC1
InChIInChI=1S/C16H16N2O3/c19-15(18-7-9-21-10-8-18)6-5-13-11-12-3-1-2-4-14(12)17-16(13)20/h1-6,11H,7-10H2,(H,17,20)/b6-5+
InChIKeyYYLPHKDUJCMQHP-AATRIKPKSA-N
MW284.31 g/mol
LogP1.40
Rot. Bonds2

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

3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-1H-quinolin-2-one (PubChem CID 110407799) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-1H-quinolin-2-one
PubChem CID110407799
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-1H-quinolin-2-one
SMILESO=C(/C=C/c1cc2ccccc2[nH]c1=O)N1CCOCC1
InChIInChI=1S/C16H16N2O3/c19-15(18-7-9-21-10-8-18)6-5-13-11-12-3-1-2-4-14(12)17-16(13)20/h1-6,11H,7-10H2,(H,17,20)/b6-5+
InChIKeyYYLPHKDUJCMQHP-AATRIKPKSA-N
XLogP1.40
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.40
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

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
tert-butyl 4-[(E)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enoyl]piperazine-1-carboxylate
CID 110605664
3-[(E)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]-1H-quinolin-2-one
CID 110414581
3-[(E)-3-(3,5-dimethylmorpholin-4-yl)-3-oxoprop-1-enyl]-1H-quinolin-2-one
CID 110631195
3-[3-(3-fluoro-4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one
CID 71898468
3-(2-iodophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 123233908
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
ethane;(E)-3-(2-methylphenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 144503557
3-[(E)-3-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-3-oxoprop-1-enyl]-1H-quinolin-2-one
CID 110613878
3-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1H-quinolin-2-one
CID 34904119
3-[3-(2,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one
CID 135339943

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-1H-quinolin-2-one?
The IUPAC name of 3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-1H-quinolin-2-one (CID 110407799) is 3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-1H-quinolin-2-one is O=C(/C=C/c1cc2ccccc2[nH]c1=O)N1CCOCC1.
What is the InChIKey of 3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-1H-quinolin-2-one?
The InChIKey is YYLPHKDUJCMQHP-AATRIKPKSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-15(18-7-9-21-10-8-18)6-5-13-11-12-3-1-2-4-14(12)17-16(13)20/h1-6,11H,7-10H2,(H,17,20)/b6-5+.
What are the key properties of 3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-1H-quinolin-2-one?
3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-1H-quinolin-2-one has a molecular weight of 284.31 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-1H-quinolin-2-one is sourced from PubChem (CID 110407799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).