[methoxy-[3-(7-methoxy-2-phenylquinolin-4-yl)oxy-5-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]cyclopenten-1-yl]methylidene]oxidanium

C33H39N2O7+ — CID 147349414

About [methoxy-[3-(7-methoxy-2-phenylquinolin-4-yl)oxy-5-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]cyclopenten-1-yl]methylidene]oxidanium

[methoxy-[3-(7-methoxy-2-phenylquinolin-4-yl)oxy-5-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]cyclopenten-1-yl]methylidene]oxidanium (PubChem CID 147349414) has the molecular formula C33H39N2O7+ and a molecular weight of 575.68 g/mol. Its IUPAC name is [methoxy-[3-(7-methoxy-2-phenylquinolin-4-yl)oxy-5-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]cyclopenten-1-yl]methylidene]oxidanium.

Molecular Properties

• Compound Name: [methoxy-[3-(7-methoxy-2-phenylquinolin-4-yl)oxy-5-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]cyclopenten-1-yl]methylidene]oxidanium
• PubChem CID: 147349414
• Molecular Formula: C33H39N2O7+
• Molecular Weight: 575.68 g/mol
• Exact Mass: 575.28
• IUPAC Name: [methoxy-[3-(7-methoxy-2-phenylquinolin-4-yl)oxy-5-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]cyclopenten-1-yl]methylidene]oxidanium
• SMILES: [H]/[O+]=C(\OC)C1=CC(Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CC1C(=O)N[C@@H](CCC)C(=O)OC(C)(C)C
• InChI: InChI=1S/C33H38N2O7/c1-7-11-26(32(38)42-33(2,3)4)35-30(36)24-16-22(17-25(24)31(37)40-6)41-29-19-27(20-12-9-8-10-13-20)34-28-18-21(39-5)14-15-23(28)29/h8-10,12-15,17-19,22,24,26H,7,11,16H2,1-6H3,(H,35,36)/p+1/t22?,24?,26-/m0/s1
• InChIKey: DFBVLCRGMAXBFI-GNCHDMCWSA-O
• XLogP: 5.38
• TPSA: 117.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.68
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [methoxy-[3-(7-methoxy-2-phenylquinolin-4-yl)oxy-5-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]cyclopenten-1-yl]methylidene]oxidanium?

The IUPAC name of [methoxy-[3-(7-methoxy-2-phenylquinolin-4-yl)oxy-5-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]cyclopenten-1-yl]methylidene]oxidanium (CID 147349414) is [methoxy-[3-(7-methoxy-2-phenylquinolin-4-yl)oxy-5-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]cyclopenten-1-yl]methylidene]oxidanium.

What is the SMILES notation for [methoxy-[3-(7-methoxy-2-phenylquinolin-4-yl)oxy-5-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]cyclopenten-1-yl]methylidene]oxidanium?

The canonical SMILES for [methoxy-[3-(7-methoxy-2-phenylquinolin-4-yl)oxy-5-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]cyclopenten-1-yl]methylidene]oxidanium is [H]/[O+]=C(\OC)C1=CC(Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CC1C(=O)N[C@@H](CCC)C(=O)OC(C)(C)C.

What is the InChIKey of [methoxy-[3-(7-methoxy-2-phenylquinolin-4-yl)oxy-5-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]cyclopenten-1-yl]methylidene]oxidanium?

The InChIKey is DFBVLCRGMAXBFI-GNCHDMCWSA-O. The full InChI is InChI=1S/C33H38N2O7/c1-7-11-26(32(38)42-33(2,3)4)35-30(36)24-16-22(17-25(24)31(37)40-6)41-29-19-27(20-12-9-8-10-13-20)34-28-18-21(39-5)14-15-23(28)29/h8-10,12-15,17-19,22,24,26H,7,11,16H2,1-6H3,(H,35,36)/p+1/t22?,24?,26-/m0/s1.

What are the key properties of [methoxy-[3-(7-methoxy-2-phenylquinolin-4-yl)oxy-5-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]cyclopenten-1-yl]methylidene]oxidanium?

[methoxy-[3-(7-methoxy-2-phenylquinolin-4-yl)oxy-5-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]cyclopenten-1-yl]methylidene]oxidanium has a molecular weight of 575.68 g/mol, XLogP of 5.38, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [methoxy-[3-(7-methoxy-2-phenylquinolin-4-yl)oxy-5-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]cyclopenten-1-yl]methylidene]oxidanium is sourced from PubChem (CID 147349414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).