[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3,5-dichloro-4-methoxybenzoate

C19H15Cl2NO5 — CID 9126270

IUPAC[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3,5-dichloro-4-methoxybenzoate
SMILESCOc1c(Cl)cc(C(=O)OCC(=O)c2ccc3c(c2)CCC(=O)N3)cc1Cl
InChIInChI=1S/C19H15Cl2NO5/c1-26-18-13(20)7-12(8-14(18)21)19(25)27-9-16(23)11-2-4-15-10(6-11)3-5-17(24)22-15/h2,4,6-8H,3,5,9H2,1H3,(H,22,24)
InChIKeyQDAWIPQSFVRYIQ-UHFFFAOYSA-N
MW408.24 g/mol
LogP3.93
Rot. Bonds5

About [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3,5-dichloro-4-methoxybenzoate

[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3,5-dichloro-4-methoxybenzoate (PubChem CID 9126270) has the molecular formula C19H15Cl2NO5 and a molecular weight of 408.24 g/mol. Its IUPAC name is [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3,5-dichloro-4-methoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3,5-dichloro-4-methoxybenzoate
PubChem CID9126270
Molecular FormulaC19H15Cl2NO5
Molecular Weight408.24 g/mol
Exact Mass407.03
IUPAC Name[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3,5-dichloro-4-methoxybenzoate
SMILESCOc1c(Cl)cc(C(=O)OCC(=O)c2ccc3c(c2)CCC(=O)N3)cc1Cl
InChIInChI=1S/C19H15Cl2NO5/c1-26-18-13(20)7-12(8-14(18)21)19(25)27-9-16(23)11-2-4-15-10(6-11)3-5-17(24)22-15/h2,4,6-8H,3,5,9H2,1H3,(H,22,24)
InChIKeyQDAWIPQSFVRYIQ-UHFFFAOYSA-N
XLogP3.93
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.24
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3,5-dichloro-4-methoxybenzoate with MolForge

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Launch Full Analysis

Related Compounds

[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-ethoxy-4-methoxybenzoate
CID 9484719
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4-[ethyl(methyl)amino]benzoate
CID 71884386
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4-(acetamidomethyl)benzoate
CID 46818941
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
6-[2-(2,3-dichlorophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one
CID 51183735
3,5-dichloro-4-methoxy-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
CID 78902281
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-methyl-1-benzothiophene-2-carboxylate
CID 8666581
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 55366832
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667589
[2-(4-acetamidophenyl)-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate
CID 9125757
6-(3-amino-3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915723
6-(3-aminobutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915592

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3,5-dichloro-4-methoxybenzoate?
The IUPAC name of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3,5-dichloro-4-methoxybenzoate (CID 9126270) is [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3,5-dichloro-4-methoxybenzoate.
What is the SMILES notation for [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3,5-dichloro-4-methoxybenzoate?
The canonical SMILES for [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3,5-dichloro-4-methoxybenzoate is COc1c(Cl)cc(C(=O)OCC(=O)c2ccc3c(c2)CCC(=O)N3)cc1Cl.
What is the InChIKey of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3,5-dichloro-4-methoxybenzoate?
The InChIKey is QDAWIPQSFVRYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO5/c1-26-18-13(20)7-12(8-14(18)21)19(25)27-9-16(23)11-2-4-15-10(6-11)3-5-17(24)22-15/h2,4,6-8H,3,5,9H2,1H3,(H,22,24).
What are the key properties of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3,5-dichloro-4-methoxybenzoate?
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3,5-dichloro-4-methoxybenzoate has a molecular weight of 408.24 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3,5-dichloro-4-methoxybenzoate is sourced from PubChem (CID 9126270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).