N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methoxybenzamide

C24H31N3O3 — CID 50861833

IUPACN-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methoxybenzamide
SMILESCCN1c2cc(OC)c(/C=N\NC(=O)c3ccc(OC)cc3)cc2C(C)CC1(C)C
InChIInChI=1S/C24H31N3O3/c1-7-27-21-13-22(30-6)18(12-20(21)16(2)14-24(27,3)4)15-25-26-23(28)17-8-10-19(29-5)11-9-17/h8-13,15-16H,7,14H2,1-6H3,(H,26,28)/b25-15-
InChIKeyBQLUXFJCCMLREN-MYYYXRDXSA-N
MW409.53 g/mol
LogP4.58
Rot. Bonds6

About N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methoxybenzamide

N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methoxybenzamide (PubChem CID 50861833) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methoxybenzamide
PubChem CID50861833
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methoxybenzamide
SMILESCCN1c2cc(OC)c(/C=N\NC(=O)c3ccc(OC)cc3)cc2C(C)CC1(C)C
InChIInChI=1S/C24H31N3O3/c1-7-27-21-13-22(30-6)18(12-20(21)16(2)14-24(27,3)4)15-25-26-23(28)17-8-10-19(29-5)11-9-17/h8-13,15-16H,7,14H2,1-6H3,(H,26,28)/b25-15-
InChIKeyBQLUXFJCCMLREN-MYYYXRDXSA-N
XLogP4.58
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea
CID 50861940
N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 50862000
N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]furan-2-carboxamide
CID 50861871
N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-hydroxybenzamide
CID 50860573
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]naphthalene-2-carboxamide
CID 50860670
N-[(Z)-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]naphthalene-2-carboxamide
CID 124649278
N-[(Z)-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-hydroxybenzamide
CID 50860912
4-methoxy-N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 50862187
N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-methoxy-4-methylbenzamide
CID 50860529
N-[(Z)-[(4R)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-3-methoxybenzamide
CID 124648920
2-methoxy-N-[(Z)-(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methylbenzamide
CID 50863864

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methoxybenzamide?
The IUPAC name of N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methoxybenzamide (CID 50861833) is N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methoxybenzamide.
What is the SMILES notation for N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methoxybenzamide?
The canonical SMILES for N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methoxybenzamide is CCN1c2cc(OC)c(/C=N\NC(=O)c3ccc(OC)cc3)cc2C(C)CC1(C)C.
What is the InChIKey of N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methoxybenzamide?
The InChIKey is BQLUXFJCCMLREN-MYYYXRDXSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-7-27-21-13-22(30-6)18(12-20(21)16(2)14-24(27,3)4)15-25-26-23(28)17-8-10-19(29-5)11-9-17/h8-13,15-16H,7,14H2,1-6H3,(H,26,28)/b25-15-.
What are the key properties of N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methoxybenzamide?
N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methoxybenzamide has a molecular weight of 409.53 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methoxybenzamide is sourced from PubChem (CID 50861833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).