(NZ)-N-[3,4-dihydro-2H-quinolin-1-yl-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-pyridinyl]methylidene]hydroxylamine

C25H25N3O3 — CID 56678678

About (NZ)-N-[3,4-dihydro-2H-quinolin-1-yl-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-pyridinyl]methylidene]hydroxylamine

(NZ)-N-[3,4-dihydro-2H-quinolin-1-yl-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-pyridinyl]methylidene]hydroxylamine (PubChem CID 56678678) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is (NZ)-N-[3,4-dihydro-2H-quinolin-1-yl-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-pyridinyl]methylidene]hydroxylamine.

Molecular Properties

• Compound Name: (NZ)-N-[3,4-dihydro-2H-quinolin-1-yl-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-pyridinyl]methylidene]hydroxylamine
• PubChem CID: 56678678
• Molecular Formula: C25H25N3O3
• Molecular Weight: 415.49 g/mol
• Exact Mass: 415.19
• IUPAC Name: (NZ)-N-[3,4-dihydro-2H-quinolin-1-yl-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-pyridinyl]methylidene]hydroxylamine
• SMILES: CC1(C)Cc2cccc(Oc3ccc(/C(=N/O)N4CCCc5ccccc54)cn3)c2O1
• InChI: InChI=1S/C25H25N3O3/c1-25(2)15-18-8-5-11-21(23(18)31-25)30-22-13-12-19(16-26-22)24(27-29)28-14-6-9-17-7-3-4-10-20(17)28/h3-5,7-8,10-13,16,29H,6,9,14-15H2,1-2H3/b27-24-
• InChIKey: SXIWCEUNTHFDMS-PNHLSOANSA-N
• XLogP: 5.18
• TPSA: 67.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.49
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[3,4-dihydro-2H-quinolin-1-yl-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-pyridinyl]methylidene]hydroxylamine?

The IUPAC name of (NZ)-N-[3,4-dihydro-2H-quinolin-1-yl-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-pyridinyl]methylidene]hydroxylamine (CID 56678678) is (NZ)-N-[3,4-dihydro-2H-quinolin-1-yl-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-pyridinyl]methylidene]hydroxylamine.

What is the SMILES notation for (NZ)-N-[3,4-dihydro-2H-quinolin-1-yl-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-pyridinyl]methylidene]hydroxylamine?

The canonical SMILES for (NZ)-N-[3,4-dihydro-2H-quinolin-1-yl-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-pyridinyl]methylidene]hydroxylamine is CC1(C)Cc2cccc(Oc3ccc(/C(=N/O)N4CCCc5ccccc54)cn3)c2O1.

What is the InChIKey of (NZ)-N-[3,4-dihydro-2H-quinolin-1-yl-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-pyridinyl]methylidene]hydroxylamine?

The InChIKey is SXIWCEUNTHFDMS-PNHLSOANSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-25(2)15-18-8-5-11-21(23(18)31-25)30-22-13-12-19(16-26-22)24(27-29)28-14-6-9-17-7-3-4-10-20(17)28/h3-5,7-8,10-13,16,29H,6,9,14-15H2,1-2H3/b27-24-.

What are the key properties of (NZ)-N-[3,4-dihydro-2H-quinolin-1-yl-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-pyridinyl]methylidene]hydroxylamine?

(NZ)-N-[3,4-dihydro-2H-quinolin-1-yl-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-pyridinyl]methylidene]hydroxylamine has a molecular weight of 415.49 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (NZ)-N-[3,4-dihydro-2H-quinolin-1-yl-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-pyridinyl]methylidene]hydroxylamine is sourced from PubChem (CID 56678678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).