3-chloro-1-ethyl-6-[4-(methoxymethoxy)phenyl]-3,4-dihydropyridin-2-one

C15H18ClNO3 — CID 153451361

IUPAC3-chloro-1-ethyl-6-[4-(methoxymethoxy)phenyl]-3,4-dihydropyridin-2-one
SMILESCCN1C(=O)C(Cl)CC=C1c1ccc(OCOC)cc1
InChIInChI=1S/C15H18ClNO3/c1-3-17-14(9-8-13(16)15(17)18)11-4-6-12(7-5-11)20-10-19-2/h4-7,9,13H,3,8,10H2,1-2H3
InChIKeyIFTASFOPFJBQFL-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.87
Rot. Bonds5

About 3-chloro-1-ethyl-6-[4-(methoxymethoxy)phenyl]-3,4-dihydropyridin-2-one

3-chloro-1-ethyl-6-[4-(methoxymethoxy)phenyl]-3,4-dihydropyridin-2-one (PubChem CID 153451361) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-chloro-1-ethyl-6-[4-(methoxymethoxy)phenyl]-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name3-chloro-1-ethyl-6-[4-(methoxymethoxy)phenyl]-3,4-dihydropyridin-2-one
PubChem CID153451361
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name3-chloro-1-ethyl-6-[4-(methoxymethoxy)phenyl]-3,4-dihydropyridin-2-one
SMILESCCN1C(=O)C(Cl)CC=C1c1ccc(OCOC)cc1
InChIInChI=1S/C15H18ClNO3/c1-3-17-14(9-8-13(16)15(17)18)11-4-6-12(7-5-11)20-10-19-2/h4-7,9,13H,3,8,10H2,1-2H3
InChIKeyIFTASFOPFJBQFL-UHFFFAOYSA-N
XLogP2.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-6-[4-(methoxymethoxy)phenyl]-3-methyl-3,4-dihydropyridin-2-one
CID 153451379
3-chloro-1-ethyl-6-[4-(methoxymethoxy)-2-methylphenyl]-3,4-dihydropyridin-2-one
CID 153451275
1-ethyl-3-methyl-6-[4-(methylsulfanylmethoxy)phenyl]-3,4-dihydropyridin-2-one
CID 153450541
3-chloro-6-[2-chloro-4-(methylsulfanylmethoxy)phenyl]-1-ethyl-3,4-dihydropyridin-2-one
CID 153451938
3-bromo-6-(4-but-2-ynoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one
CID 153451812
3-chloro-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-methyl-3,4-dihydropyridin-2-one
CID 153451355
1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-methyl-3,4-dihydropyridin-2-one
CID 153450449
1,4-bis(methoxymethoxy)benzene
CID 542643
1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one
CID 153451934
1-ethyl-3-ethynyl-6-[4-(methoxymethoxy)phenyl]-2-methylidenepyridine
CID 158723879
1-methoxy-4-[4-(methoxymethoxy)phenyl]benzene
CID 58029226
3-bromo-1-ethyl-6-[4-(methoxymethoxy)phenyl]pyridin-2-one
CID 161125403

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-ethyl-6-[4-(methoxymethoxy)phenyl]-3,4-dihydropyridin-2-one?
The IUPAC name of 3-chloro-1-ethyl-6-[4-(methoxymethoxy)phenyl]-3,4-dihydropyridin-2-one (CID 153451361) is 3-chloro-1-ethyl-6-[4-(methoxymethoxy)phenyl]-3,4-dihydropyridin-2-one.
What is the SMILES notation for 3-chloro-1-ethyl-6-[4-(methoxymethoxy)phenyl]-3,4-dihydropyridin-2-one?
The canonical SMILES for 3-chloro-1-ethyl-6-[4-(methoxymethoxy)phenyl]-3,4-dihydropyridin-2-one is CCN1C(=O)C(Cl)CC=C1c1ccc(OCOC)cc1.
What is the InChIKey of 3-chloro-1-ethyl-6-[4-(methoxymethoxy)phenyl]-3,4-dihydropyridin-2-one?
The InChIKey is IFTASFOPFJBQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-3-17-14(9-8-13(16)15(17)18)11-4-6-12(7-5-11)20-10-19-2/h4-7,9,13H,3,8,10H2,1-2H3.
What are the key properties of 3-chloro-1-ethyl-6-[4-(methoxymethoxy)phenyl]-3,4-dihydropyridin-2-one?
3-chloro-1-ethyl-6-[4-(methoxymethoxy)phenyl]-3,4-dihydropyridin-2-one has a molecular weight of 295.77 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-ethyl-6-[4-(methoxymethoxy)phenyl]-3,4-dihydropyridin-2-one is sourced from PubChem (CID 153451361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).