2-(2,4-dichlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide

C19H15Cl2N3O3 — CID 135615241

IUPAC2-(2,4-dichlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C19H15Cl2N3O3/c1-11(27-17-7-6-14(20)9-15(17)21)18(25)24-22-10-13-8-12-4-2-3-5-16(12)23-19(13)26/h2-11H,1H3,(H,23,26)(H,24,25)/b22-10+
InChIKeyDYXCQCJCJQYBHB-LSHDLFTRSA-N
MW404.25 g/mol
LogP3.75
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide

2-(2,4-dichlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide (PubChem CID 135615241) has the molecular formula C19H15Cl2N3O3 and a molecular weight of 404.25 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide
PubChem CID135615241
Molecular FormulaC19H15Cl2N3O3
Molecular Weight404.25 g/mol
Exact Mass403.05
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C19H15Cl2N3O3/c1-11(27-17-7-6-14(20)9-15(17)21)18(25)24-22-10-13-8-12-4-2-3-5-16(12)23-19(13)26/h2-11H,1H3,(H,23,26)(H,24,25)/b22-10+
InChIKeyDYXCQCJCJQYBHB-LSHDLFTRSA-N
XLogP3.75
TPSA83.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.25
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]butanamide
CID 136808208
2-(4-chlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide
CID 135752432
(2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1H-indol-3-ylmethylideneamino]propanamide
CID 136672401
2-(2,4-dichlorophenoxy)-N-[(2,3-difluorophenyl)methylideneamino]propanamide
CID 4924893
3-chloro-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 4120444
(2R)-2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]propanamide
CID 7036505
2-(2,4-dichlorophenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]propanamide
CID 3311079
2-(2,4-dichlorophenoxy)-N-(quinoxalin-2-ylmethylideneamino)propanamide
CID 4984952
2-(4-chloro-2-methylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
CID 135606908
(2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 41009806
(2S)-2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide
CID 137081024
2-(2,4-dichlorophenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]propanamide
CID 3295271

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide (CID 135615241) is 2-(2,4-dichlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc2ccccc2[nH]c1=O.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide?
The InChIKey is DYXCQCJCJQYBHB-LSHDLFTRSA-N. The full InChI is InChI=1S/C19H15Cl2N3O3/c1-11(27-17-7-6-14(20)9-15(17)21)18(25)24-22-10-13-8-12-4-2-3-5-16(12)23-19(13)26/h2-11H,1H3,(H,23,26)(H,24,25)/b22-10+.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide?
2-(2,4-dichlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide has a molecular weight of 404.25 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide is sourced from PubChem (CID 135615241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).