cyclopentyl 2-amino-4-[4-[4-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)phenoxy]-6-methoxyquinolin-7-yl]oxybutanoate

C35H38N4O6 — CID 67264730

About cyclopentyl 2-amino-4-[4-[4-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)phenoxy]-6-methoxyquinolin-7-yl]oxybutanoate

cyclopentyl 2-amino-4-[4-[4-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)phenoxy]-6-methoxyquinolin-7-yl]oxybutanoate (PubChem CID 67264730) has the molecular formula C35H38N4O6 and a molecular weight of 610.71 g/mol. Its IUPAC name is cyclopentyl 2-amino-4-[4-[4-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)phenoxy]-6-methoxyquinolin-7-yl]oxybutanoate.

Molecular Properties

• Compound Name: cyclopentyl 2-amino-4-[4-[4-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)phenoxy]-6-methoxyquinolin-7-yl]oxybutanoate
• PubChem CID: 67264730
• Molecular Formula: C35H38N4O6
• Molecular Weight: 610.71 g/mol
• Exact Mass: 610.28
• IUPAC Name: cyclopentyl 2-amino-4-[4-[4-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)phenoxy]-6-methoxyquinolin-7-yl]oxybutanoate
• SMILES: COc1cc2c(Oc3ccc(NC(=O)Nc4ccc5c(c4)CCC5)cc3)ccnc2cc1OCCC(N)C(=O)OC1CCCC1
• InChI: InChI=1S/C35H38N4O6/c1-42-32-20-28-30(21-33(32)43-18-16-29(36)34(40)45-26-7-2-3-8-26)37-17-15-31(28)44-27-13-11-24(12-14-27)38-35(41)39-25-10-9-22-5-4-6-23(22)19-25/h9-15,17,19-21,26,29H,2-8,16,18,36H2,1H3,(H2,38,39,41)
• InChIKey: BKVQNFIYKOAPAI-UHFFFAOYSA-N
• XLogP: 6.75
• TPSA: 134.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.71
LogP ≤ 5	6.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-amino-4-[4-[4-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)phenoxy]-6-methoxyquinolin-7-yl]oxybutanoate?

The IUPAC name of cyclopentyl 2-amino-4-[4-[4-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)phenoxy]-6-methoxyquinolin-7-yl]oxybutanoate (CID 67264730) is cyclopentyl 2-amino-4-[4-[4-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)phenoxy]-6-methoxyquinolin-7-yl]oxybutanoate.

What is the SMILES notation for cyclopentyl 2-amino-4-[4-[4-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)phenoxy]-6-methoxyquinolin-7-yl]oxybutanoate?

The canonical SMILES for cyclopentyl 2-amino-4-[4-[4-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)phenoxy]-6-methoxyquinolin-7-yl]oxybutanoate is COc1cc2c(Oc3ccc(NC(=O)Nc4ccc5c(c4)CCC5)cc3)ccnc2cc1OCCC(N)C(=O)OC1CCCC1.

What is the InChIKey of cyclopentyl 2-amino-4-[4-[4-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)phenoxy]-6-methoxyquinolin-7-yl]oxybutanoate?

The InChIKey is BKVQNFIYKOAPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N4O6/c1-42-32-20-28-30(21-33(32)43-18-16-29(36)34(40)45-26-7-2-3-8-26)37-17-15-31(28)44-27-13-11-24(12-14-27)38-35(41)39-25-10-9-22-5-4-6-23(22)19-25/h9-15,17,19-21,26,29H,2-8,16,18,36H2,1H3,(H2,38,39,41).

What are the key properties of cyclopentyl 2-amino-4-[4-[4-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)phenoxy]-6-methoxyquinolin-7-yl]oxybutanoate?

cyclopentyl 2-amino-4-[4-[4-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)phenoxy]-6-methoxyquinolin-7-yl]oxybutanoate has a molecular weight of 610.71 g/mol, XLogP of 6.75, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentyl 2-amino-4-[4-[4-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)phenoxy]-6-methoxyquinolin-7-yl]oxybutanoate is sourced from PubChem (CID 67264730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).