N-[(Z)-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]naphthalene-2-carboxamide

C27H31N3O — CID 124649278

About N-[(Z)-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]naphthalene-2-carboxamide

N-[(Z)-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]naphthalene-2-carboxamide (PubChem CID 124649278) has the molecular formula C27H31N3O and a molecular weight of 413.57 g/mol. Its IUPAC name is N-[(Z)-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(Z)-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]naphthalene-2-carboxamide
• PubChem CID: 124649278
• Molecular Formula: C27H31N3O
• Molecular Weight: 413.57 g/mol
• Exact Mass: 413.25
• IUPAC Name: N-[(Z)-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]naphthalene-2-carboxamide
• SMILES: CCN1c2cc(C)c(/C=N\NC(=O)c3ccc4ccccc4c3)cc2[C@H](C)CC1(C)C
• InChI: InChI=1S/C27H31N3O/c1-6-30-25-13-18(2)23(15-24(25)19(3)16-27(30,4)5)17-28-29-26(31)22-12-11-20-9-7-8-10-21(20)14-22/h7-15,17,19H,6,16H2,1-5H3,(H,29,31)/b28-17-/t19-/m1/s1
• InChIKey: LFDQEFLTOBWIMG-BKBIYGFMSA-N
• XLogP: 6.02
• TPSA: 44.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	413.57
LogP ≤ 5	6.02
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)-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]naphthalene-2-carboxamide?

The IUPAC name of N-[(Z)-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]naphthalene-2-carboxamide (CID 124649278) is N-[(Z)-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]naphthalene-2-carboxamide.

What is the SMILES notation for N-[(Z)-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]naphthalene-2-carboxamide?

The canonical SMILES for N-[(Z)-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]naphthalene-2-carboxamide is CCN1c2cc(C)c(/C=N\NC(=O)c3ccc4ccccc4c3)cc2[C@H](C)CC1(C)C.

What is the InChIKey of N-[(Z)-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]naphthalene-2-carboxamide?

The InChIKey is LFDQEFLTOBWIMG-BKBIYGFMSA-N. The full InChI is InChI=1S/C27H31N3O/c1-6-30-25-13-18(2)23(15-24(25)19(3)16-27(30,4)5)17-28-29-26(31)22-12-11-20-9-7-8-10-21(20)14-22/h7-15,17,19H,6,16H2,1-5H3,(H,29,31)/b28-17-/t19-/m1/s1.

What are the key properties of N-[(Z)-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]naphthalene-2-carboxamide?

N-[(Z)-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]naphthalene-2-carboxamide has a molecular weight of 413.57 g/mol, XLogP of 6.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 124649278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).