(E)-3-(2,3-dichlorophenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]prop-2-enamide

C20H18Cl2N2O3 — CID 78891650

IUPAC(E)-3-(2,3-dichlorophenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(Cl)c1Cl)NCCOc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C20H18Cl2N2O3/c21-16-3-1-2-13(20(16)22)4-8-18(25)23-10-11-27-15-6-7-17-14(12-15)5-9-19(26)24-17/h1-4,6-8,12H,5,9-11H2,(H,23,25)(H,24,26)/b8-4+
InChIKeyYVFJLWYXAIPFHT-XBXARRHUSA-N
MW405.28 g/mol
LogP4.09
Rot. Bonds6

About (E)-3-(2,3-dichlorophenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]prop-2-enamide

(E)-3-(2,3-dichlorophenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]prop-2-enamide (PubChem CID 78891650) has the molecular formula C20H18Cl2N2O3 and a molecular weight of 405.28 g/mol. Its IUPAC name is (E)-3-(2,3-dichlorophenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,3-dichlorophenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]prop-2-enamide
PubChem CID78891650
Molecular FormulaC20H18Cl2N2O3
Molecular Weight405.28 g/mol
Exact Mass404.07
IUPAC Name(E)-3-(2,3-dichlorophenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(Cl)c1Cl)NCCOc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C20H18Cl2N2O3/c21-16-3-1-2-13(20(16)22)4-8-18(25)23-10-11-27-15-6-7-17-14(12-15)5-9-19(26)24-17/h1-4,6-8,12H,5,9-11H2,(H,23,25)(H,24,26)/b8-4+
InChIKeyYVFJLWYXAIPFHT-XBXARRHUSA-N
XLogP4.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.28
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2,5-dichlorophenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]prop-2-enamide
CID 78891903
3,5-dichloro-4-methoxy-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
CID 78902281
1-(4-chlorophenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]cyclopentane-1-carboxamide
CID 78902248
N-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 86580849
N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-pentoxybenzamide
CID 78891688
N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(phenoxymethyl)benzamide
CID 78891643
N-[2-(methylamino)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride
CID 119501892
N-[(3-bromophenyl)methyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 55596350
2-(9-oxoacridin-10-yl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]acetamide
CID 78892122
5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pentanehydrazide
CID 63576665
4-methoxy-N-[2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)oxy]ethyl]benzamide
CID 172880287
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dichlorophenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,3-dichlorophenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]prop-2-enamide (CID 78891650) is (E)-3-(2,3-dichlorophenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,3-dichlorophenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,3-dichlorophenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]prop-2-enamide is O=C(/C=C/c1cccc(Cl)c1Cl)NCCOc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of (E)-3-(2,3-dichlorophenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]prop-2-enamide?
The InChIKey is YVFJLWYXAIPFHT-XBXARRHUSA-N. The full InChI is InChI=1S/C20H18Cl2N2O3/c21-16-3-1-2-13(20(16)22)4-8-18(25)23-10-11-27-15-6-7-17-14(12-15)5-9-19(26)24-17/h1-4,6-8,12H,5,9-11H2,(H,23,25)(H,24,26)/b8-4+.
What are the key properties of (E)-3-(2,3-dichlorophenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]prop-2-enamide?
(E)-3-(2,3-dichlorophenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]prop-2-enamide has a molecular weight of 405.28 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dichlorophenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]prop-2-enamide is sourced from PubChem (CID 78891650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).