2-chloro-N-[(E)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methylbenzamide

C24H30ClN3O — CID 133170614

IUPAC2-chloro-N-[(E)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methylbenzamide
SMILESCCN1c2cc(C)c(/C=N/NC(=O)c3ccc(C)cc3Cl)cc2C(C)CC1(C)C
InChIInChI=1S/C24H30ClN3O/c1-7-28-22-11-16(3)18(12-20(22)17(4)13-24(28,5)6)14-26-27-23(29)19-9-8-15(2)10-21(19)25/h8-12,14,17H,7,13H2,1-6H3,(H,27,29)/b26-14+
InChIKeyPTIVXYABIKNLMJ-VULFUBBASA-N
MW411.98 g/mol
LogP5.83
Rot. Bonds4

About 2-chloro-N-[(E)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methylbenzamide

2-chloro-N-[(E)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methylbenzamide (PubChem CID 133170614) has the molecular formula C24H30ClN3O and a molecular weight of 411.98 g/mol. Its IUPAC name is 2-chloro-N-[(E)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[(E)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methylbenzamide
PubChem CID133170614
Molecular FormulaC24H30ClN3O
Molecular Weight411.98 g/mol
Exact Mass411.21
IUPAC Name2-chloro-N-[(E)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methylbenzamide
SMILESCCN1c2cc(C)c(/C=N/NC(=O)c3ccc(C)cc3Cl)cc2C(C)CC1(C)C
InChIInChI=1S/C24H30ClN3O/c1-7-28-22-11-16(3)18(12-20(22)17(4)13-24(28,5)6)14-26-27-23(29)19-9-8-15(2)10-21(19)25/h8-12,14,17H,7,13H2,1-6H3,(H,27,29)/b26-14+
InChIKeyPTIVXYABIKNLMJ-VULFUBBASA-N
XLogP5.83
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.98
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[(E)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methylbenzamide with MolForge

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Related Compounds

N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-methoxy-4-methylbenzamide
CID 50860529
2-chloro-N-[(Z)-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methylbenzamide
CID 50860375
2-chloro-4-methyl-N-[(E)-(2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 133170688
2,4-dichloro-N-[(Z)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 50862635
2,4-dichloro-N-[(Z)-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 50860928
2-chloro-N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]pyridine-3-carboxamide
CID 50860434
N-[(Z)-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-4-hydroxybenzamide
CID 124649236
N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-hydroxybenzamide
CID 50860573
2-chloro-N-[(Z)-[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-4-methylbenzamide
CID 125043124
2-chloro-N-[(Z)-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methylbenzamide
CID 50859042
N-[(E)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]pyridine-2-carboxamide
CID 133170587
N-[(Z)-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]naphthalene-2-carboxamide
CID 124649278

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(E)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methylbenzamide?
The IUPAC name of 2-chloro-N-[(E)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methylbenzamide (CID 133170614) is 2-chloro-N-[(E)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[(E)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-[(E)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methylbenzamide is CCN1c2cc(C)c(/C=N/NC(=O)c3ccc(C)cc3Cl)cc2C(C)CC1(C)C.
What is the InChIKey of 2-chloro-N-[(E)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methylbenzamide?
The InChIKey is PTIVXYABIKNLMJ-VULFUBBASA-N. The full InChI is InChI=1S/C24H30ClN3O/c1-7-28-22-11-16(3)18(12-20(22)17(4)13-24(28,5)6)14-26-27-23(29)19-9-8-15(2)10-21(19)25/h8-12,14,17H,7,13H2,1-6H3,(H,27,29)/b26-14+.
What are the key properties of 2-chloro-N-[(E)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methylbenzamide?
2-chloro-N-[(E)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methylbenzamide has a molecular weight of 411.98 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(E)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methylbenzamide is sourced from PubChem (CID 133170614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).