4-methoxy-N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide

C24H31N3O2 — CID 50862187

IUPAC4-methoxy-N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
SMILESCCCN1c2ccc(/C=N\NC(=O)c3ccc(OC)cc3)cc2C(C)CC1(C)C
InChIInChI=1S/C24H31N3O2/c1-6-13-27-22-12-7-18(14-21(22)17(2)15-24(27,3)4)16-25-26-23(28)19-8-10-20(29-5)11-9-19/h7-12,14,16-17H,6,13,15H2,1-5H3,(H,26,28)/b25-16-
InChIKeyIDDMZKFOFIAHGN-XYGWBWBKSA-N
MW393.53 g/mol
LogP4.96
Rot. Bonds6

About 4-methoxy-N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide

4-methoxy-N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide (PubChem CID 50862187) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 4-methoxy-N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
PubChem CID50862187
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name4-methoxy-N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
SMILESCCCN1c2ccc(/C=N\NC(=O)c3ccc(OC)cc3)cc2C(C)CC1(C)C
InChIInChI=1S/C24H31N3O2/c1-6-13-27-22-12-7-18(14-21(22)17(2)15-24(27,3)4)16-25-26-23(28)19-8-10-20(29-5)11-9-19/h7-12,14,16-17H,6,13,15H2,1-5H3,(H,26,28)/b25-16-
InChIKeyIDDMZKFOFIAHGN-XYGWBWBKSA-N
XLogP4.96
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.96
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'}

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

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Related Compounds

N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide
CID 50862138
4-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 50862171
N-[(Z)-[(4R)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-3-methoxybenzamide
CID 124648920
N-[(E)-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 50860277
2-methoxy-4-methyl-N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 50862125
N-[(Z)-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-hydroxybenzamide
CID 50860149
2-(4-chlorophenoxy)-N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide
CID 50862123
1-phenyl-3-[(E)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea
CID 50862117
2-pyrrol-1-yl-N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 50862180
N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methoxybenzamide
CID 50861833
4-methyl-N-[(Z)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 50858351
4-fluoro-N-[(Z)-[(4R)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]benzamide
CID 99885492

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide?
The IUPAC name of 4-methoxy-N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide (CID 50862187) is 4-methoxy-N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-methoxy-N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide?
The canonical SMILES for 4-methoxy-N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide is CCCN1c2ccc(/C=N\NC(=O)c3ccc(OC)cc3)cc2C(C)CC1(C)C.
What is the InChIKey of 4-methoxy-N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide?
The InChIKey is IDDMZKFOFIAHGN-XYGWBWBKSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-6-13-27-22-12-7-18(14-21(22)17(2)15-24(27,3)4)16-25-26-23(28)19-8-10-20(29-5)11-9-19/h7-12,14,16-17H,6,13,15H2,1-5H3,(H,26,28)/b25-16-.
What are the key properties of 4-methoxy-N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide?
4-methoxy-N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide has a molecular weight of 393.53 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide is sourced from PubChem (CID 50862187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).