3,5-dichloro-4-methoxy-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide

C19H18Cl2N2O4 — CID 78902281

IUPAC3,5-dichloro-4-methoxy-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
SMILESCOc1c(Cl)cc(C(=O)NCCOc2ccc3c(c2)CCC(=O)N3)cc1Cl
InChIInChI=1S/C19H18Cl2N2O4/c1-26-18-14(20)9-12(10-15(18)21)19(25)22-6-7-27-13-3-4-16-11(8-13)2-5-17(24)23-16/h3-4,8-10H,2,5-7H2,1H3,(H,22,25)(H,23,24)
InChIKeyPAJFZTYUBPAGGF-UHFFFAOYSA-N
MW409.27 g/mol
LogP3.70
Rot. Bonds6

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

3,5-dichloro-4-methoxy-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide (PubChem CID 78902281) has the molecular formula C19H18Cl2N2O4 and a molecular weight of 409.27 g/mol. Its IUPAC name is 3,5-dichloro-4-methoxy-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-methoxy-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
PubChem CID78902281
Molecular FormulaC19H18Cl2N2O4
Molecular Weight409.27 g/mol
Exact Mass408.06
IUPAC Name3,5-dichloro-4-methoxy-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
SMILESCOc1c(Cl)cc(C(=O)NCCOc2ccc3c(c2)CCC(=O)N3)cc1Cl
InChIInChI=1S/C19H18Cl2N2O4/c1-26-18-14(20)9-12(10-15(18)21)19(25)22-6-7-27-13-3-4-16-11(8-13)2-5-17(24)23-16/h3-4,8-10H,2,5-7H2,1H3,(H,22,25)(H,23,24)
InChIKeyPAJFZTYUBPAGGF-UHFFFAOYSA-N
XLogP3.70
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.27
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-[2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)oxy]ethyl]benzamide
CID 172880287
N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-pentoxybenzamide
CID 78891688
3-fluoro-4-methoxy-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
CID 78891709
3-bromo-5-fluoro-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
CID 78891632
N-[2-(4-methoxyphenoxy)ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784577
N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(phenoxymethyl)benzamide
CID 78891643
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
3-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzo[g][1]benzofuran-2-carboxamide
CID 78891639
(E)-3-(2,5-dichlorophenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]prop-2-enamide
CID 78891903
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3,5-dichloro-4-methoxybenzoate
CID 9126270
1-(4-chlorophenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]cyclopentane-1-carboxamide
CID 78902248
(E)-3-(2,3-dichlorophenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]prop-2-enamide
CID 78891650

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-methoxy-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide?
The IUPAC name of 3,5-dichloro-4-methoxy-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide (CID 78902281) is 3,5-dichloro-4-methoxy-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide.
What is the SMILES notation for 3,5-dichloro-4-methoxy-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide?
The canonical SMILES for 3,5-dichloro-4-methoxy-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide is COc1c(Cl)cc(C(=O)NCCOc2ccc3c(c2)CCC(=O)N3)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-methoxy-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide?
The InChIKey is PAJFZTYUBPAGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O4/c1-26-18-14(20)9-12(10-15(18)21)19(25)22-6-7-27-13-3-4-16-11(8-13)2-5-17(24)23-16/h3-4,8-10H,2,5-7H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 3,5-dichloro-4-methoxy-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide?
3,5-dichloro-4-methoxy-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide has a molecular weight of 409.27 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-methoxy-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide is sourced from PubChem (CID 78902281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).