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

C27H31N3O — CID 50862138

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

N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide (PubChem CID 50862138) has the molecular formula C27H31N3O and a molecular weight of 413.57 g/mol. Its IUPAC name is N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide
• PubChem CID: 50862138
• Molecular Formula: C27H31N3O
• Molecular Weight: 413.57 g/mol
• Exact Mass: 413.25
• IUPAC Name: N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide
• SMILES: CCCN1c2ccc(/C=N\NC(=O)c3ccc4ccccc4c3)cc2C(C)CC1(C)C
• InChI: InChI=1S/C27H31N3O/c1-5-14-30-25-13-10-20(15-24(25)19(2)17-27(30,3)4)18-28-29-26(31)23-12-11-21-8-6-7-9-22(21)16-23/h6-13,15-16,18-19H,5,14,17H2,1-4H3,(H,29,31)/b28-18-
• InChIKey: RWGVEWRZJFBWHV-VEILYXNESA-N
• XLogP: 6.11
• TPSA: 44.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	413.57
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide?

The IUPAC name of N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide (CID 50862138) is N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide.

What is the SMILES notation for N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide?

The canonical SMILES for N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide is CCCN1c2ccc(/C=N\NC(=O)c3ccc4ccccc4c3)cc2C(C)CC1(C)C.

What is the InChIKey of N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide?

The InChIKey is RWGVEWRZJFBWHV-VEILYXNESA-N. The full InChI is InChI=1S/C27H31N3O/c1-5-14-30-25-13-10-20(15-24(25)19(2)17-27(30,3)4)18-28-29-26(31)23-12-11-21-8-6-7-9-22(21)16-23/h6-13,15-16,18-19H,5,14,17H2,1-4H3,(H,29,31)/b28-18-.

What are the key properties of N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide?

N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide has a molecular weight of 413.57 g/mol, XLogP of 6.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 50862138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).