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

C19H16ClN3O3 — CID 135752432

IUPAC2-(4-chlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)N/N=C/c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C19H16ClN3O3/c1-12(26-16-8-6-15(20)7-9-16)18(24)23-21-11-14-10-13-4-2-3-5-17(13)22-19(14)25/h2-12H,1H3,(H,22,25)(H,23,24)/b21-11+
InChIKeyJJJMHBOCJZHXBS-SRZZPIQSSA-N
MW369.81 g/mol
LogP3.10
Rot. Bonds5

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

2-(4-chlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide (PubChem CID 135752432) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide
PubChem CID135752432
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Name2-(4-chlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)N/N=C/c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C19H16ClN3O3/c1-12(26-16-8-6-15(20)7-9-16)18(24)23-21-11-14-10-13-4-2-3-5-17(13)22-19(14)25/h2-12H,1H3,(H,22,25)(H,23,24)/b21-11+
InChIKeyJJJMHBOCJZHXBS-SRZZPIQSSA-N
XLogP3.10
TPSA83.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.10
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

2-(2,4-dichlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide
CID 135615241
(2S)-2-(4-chlorophenoxy)-N-(naphthalen-1-ylmethylideneamino)propanamide
CID 1239974
(2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]butanamide
CID 136808208
2-(4-chlorophenoxy)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]propanamide
CID 19168494
(2S)-N-[(Z)-benzylideneamino]-2-(4-chlorophenoxy)propanamide
CID 5395999
3-chloro-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 4120444
(2R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 5458000
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide
CID 2788482
4-butoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 135752255
(2S)-2-(4-chlorophenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide
CID 136766937
(2R)-2-(4-chlorophenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide
CID 136766938
2-[(4-chlorophenyl)methoxy]-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 136503674

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide (CID 135752432) is 2-(4-chlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide is CC(Oc1ccc(Cl)cc1)C(=O)N/N=C/c1cc2ccccc2[nH]c1=O.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide?
The InChIKey is JJJMHBOCJZHXBS-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c1-12(26-16-8-6-15(20)7-9-16)18(24)23-21-11-14-10-13-4-2-3-5-17(13)22-19(14)25/h2-12H,1H3,(H,22,25)(H,23,24)/b21-11+.
What are the key properties of 2-(4-chlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide?
2-(4-chlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide has a molecular weight of 369.81 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide is sourced from PubChem (CID 135752432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).