2-(4-chlorophenyl)-N-[(Z)-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]acetamide

C26H26ClN3O2 — CID 6140320

IUPAC2-(4-chlorophenyl)-N-[(Z)-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]acetamide
SMILESCOc1ccc(/C=N\NC(=O)Cc2ccc(Cl)cc2)cc1CN1CCCc2ccccc21
InChIInChI=1S/C26H26ClN3O2/c1-32-25-13-10-20(17-28-29-26(31)16-19-8-11-23(27)12-9-19)15-22(25)18-30-14-4-6-21-5-2-3-7-24(21)30/h2-3,5,7-13,15,17H,4,6,14,16,18H2,1H3,(H,29,31)/b28-17-
InChIKeyKWWCQAFKFSEBKV-QRQIAZFYSA-N
MW447.97 g/mol
LogP4.99
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[(Z)-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]acetamide

2-(4-chlorophenyl)-N-[(Z)-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]acetamide (PubChem CID 6140320) has the molecular formula C26H26ClN3O2 and a molecular weight of 447.97 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(Z)-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(Z)-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]acetamide
PubChem CID6140320
Molecular FormulaC26H26ClN3O2
Molecular Weight447.97 g/mol
Exact Mass447.17
IUPAC Name2-(4-chlorophenyl)-N-[(Z)-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]acetamide
SMILESCOc1ccc(/C=N\NC(=O)Cc2ccc(Cl)cc2)cc1CN1CCCc2ccccc21
InChIInChI=1S/C26H26ClN3O2/c1-32-25-13-10-20(17-28-29-26(31)16-19-8-11-23(27)12-9-19)15-22(25)18-30-14-4-6-21-5-2-3-7-24(21)30/h2-3,5,7-13,15,17H,4,6,14,16,18H2,1H3,(H,29,31)/b28-17-
InChIKeyKWWCQAFKFSEBKV-QRQIAZFYSA-N
XLogP4.99
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.97
LogP ≤ 54.99
H-Bond Donors ≤ 51
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

N-[(Z)-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-2,2-diphenylacetamide
CID 6140321
N-[[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]-3-iodobenzamide
CID 4525654
N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-2-phenylacetamide
CID 171985779
2-(4-chlorophenyl)-N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide
CID 136789448
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-(3-fluoro-4-methoxyphenyl)acetohydrazide
CID 9272342
N-(benzylideneamino)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 4092454
4-[(Z)-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 9258347
2-[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxyphenoxy]acetamide
CID 86785685
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxyphenol
CID 82975067
N-(5-chloro-2-methoxyphenyl)-3-(2,3-dihydroindol-1-yl)propanamide
CID 109034841
2-(4-chlorophenyl)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 6300942
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 92685926

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(Z)-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(Z)-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]acetamide (CID 6140320) is 2-(4-chlorophenyl)-N-[(Z)-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(Z)-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(Z)-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]acetamide is COc1ccc(/C=N\NC(=O)Cc2ccc(Cl)cc2)cc1CN1CCCc2ccccc21.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(Z)-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]acetamide?
The InChIKey is KWWCQAFKFSEBKV-QRQIAZFYSA-N. The full InChI is InChI=1S/C26H26ClN3O2/c1-32-25-13-10-20(17-28-29-26(31)16-19-8-11-23(27)12-9-19)15-22(25)18-30-14-4-6-21-5-2-3-7-24(21)30/h2-3,5,7-13,15,17H,4,6,14,16,18H2,1H3,(H,29,31)/b28-17-.
What are the key properties of 2-(4-chlorophenyl)-N-[(Z)-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]acetamide?
2-(4-chlorophenyl)-N-[(Z)-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]acetamide has a molecular weight of 447.97 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(Z)-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]acetamide is sourced from PubChem (CID 6140320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).