cyclopentyl 2-amino-4-[4-(4-benzamidoanilino)-6-methoxyquinolin-7-yl]oxybutanoate

C32H34N4O5 — CID 67265173

IUPACcyclopentyl 2-amino-4-[4-(4-benzamidoanilino)-6-methoxyquinolin-7-yl]oxybutanoate
SMILESCOc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ccnc2cc1OCCC(N)C(=O)OC1CCCC1
InChIInChI=1S/C32H34N4O5/c1-39-29-19-25-27(35-22-11-13-23(14-12-22)36-31(37)21-7-3-2-4-8-21)15-17-34-28(25)20-30(29)40-18-16-26(33)32(38)41-24-9-5-6-10-24/h2-4,7-8,11-15,17,19-20,24,26H,5-6,9-10,16,18,33H2,1H3,(H,34,35)(H,36,37)
InChIKeyCSRPYMJYBMYBAS-UHFFFAOYSA-N
MW554.65 g/mol
LogP5.82
Rot. Bonds11

About cyclopentyl 2-amino-4-[4-(4-benzamidoanilino)-6-methoxyquinolin-7-yl]oxybutanoate

cyclopentyl 2-amino-4-[4-(4-benzamidoanilino)-6-methoxyquinolin-7-yl]oxybutanoate (PubChem CID 67265173) has the molecular formula C32H34N4O5 and a molecular weight of 554.65 g/mol. Its IUPAC name is cyclopentyl 2-amino-4-[4-(4-benzamidoanilino)-6-methoxyquinolin-7-yl]oxybutanoate.

Molecular Properties

Compound Namecyclopentyl 2-amino-4-[4-(4-benzamidoanilino)-6-methoxyquinolin-7-yl]oxybutanoate
PubChem CID67265173
Molecular FormulaC32H34N4O5
Molecular Weight554.65 g/mol
Exact Mass554.25
IUPAC Namecyclopentyl 2-amino-4-[4-(4-benzamidoanilino)-6-methoxyquinolin-7-yl]oxybutanoate
SMILESCOc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ccnc2cc1OCCC(N)C(=O)OC1CCCC1
InChIInChI=1S/C32H34N4O5/c1-39-29-19-25-27(35-22-11-13-23(14-12-22)36-31(37)21-7-3-2-4-8-21)15-17-34-28(25)20-30(29)40-18-16-26(33)32(38)41-24-9-5-6-10-24/h2-4,7-8,11-15,17,19-20,24,26H,5-6,9-10,16,18,33H2,1H3,(H,34,35)(H,36,37)
InChIKeyCSRPYMJYBMYBAS-UHFFFAOYSA-N
XLogP5.82
TPSA124.80 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.65
LogP ≤ 55.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze cyclopentyl 2-amino-4-[4-(4-benzamidoanilino)-6-methoxyquinolin-7-yl]oxybutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopentyl (2S)-2-[3-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxypropylamino]-2-phenylacetate
CID 15605215
cyclopentyl (2S)-2-[4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutylamino]-2-phenylacetate
CID 15605353
2-amino-4-[4-(4-benzamido-2-methoxyphenoxy)-6-methoxyquinolin-7-yl]oxybutanoic acid
CID 67265062
cyclohexyl (2S)-2-[4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutylamino]-2-phenylacetate
CID 143322373
cyclopentyl 2-amino-4-[4-[4-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)phenoxy]-6-methoxyquinolin-7-yl]oxybutanoate
CID 67264730
N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;methane;(3-methylcyclopentyl) (2S)-2-amino-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutanoate;(3-methylcyclopentyl) (2S)-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;(3-methylcyclopentyl) (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 158670186
cyclopentyl (2R)-2-amino-5-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanylquinolin-7-yl]oxypentanoate
CID 15602833
2-amino-4-[4-[4-[(4-fluorobenzoyl)amino]phenoxy]-6-methoxyquinolin-7-yl]oxybutanoic acid
CID 67265246
N-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 59295374
cyclopentyl 4-[(2S)-2-[[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 67265089
cyclopentyl (2S)-2-amino-4-[[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxy-7-methyl-8H-quinolin-7-yl]oxy]butanoate
CID 163766119
N-[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]-1,2,3,4-tetrahydro-1,2,4-triazine-6-carboxamide
CID 140884388

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-amino-4-[4-(4-benzamidoanilino)-6-methoxyquinolin-7-yl]oxybutanoate?
The IUPAC name of cyclopentyl 2-amino-4-[4-(4-benzamidoanilino)-6-methoxyquinolin-7-yl]oxybutanoate (CID 67265173) is cyclopentyl 2-amino-4-[4-(4-benzamidoanilino)-6-methoxyquinolin-7-yl]oxybutanoate.
What is the SMILES notation for cyclopentyl 2-amino-4-[4-(4-benzamidoanilino)-6-methoxyquinolin-7-yl]oxybutanoate?
The canonical SMILES for cyclopentyl 2-amino-4-[4-(4-benzamidoanilino)-6-methoxyquinolin-7-yl]oxybutanoate is COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ccnc2cc1OCCC(N)C(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl 2-amino-4-[4-(4-benzamidoanilino)-6-methoxyquinolin-7-yl]oxybutanoate?
The InChIKey is CSRPYMJYBMYBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O5/c1-39-29-19-25-27(35-22-11-13-23(14-12-22)36-31(37)21-7-3-2-4-8-21)15-17-34-28(25)20-30(29)40-18-16-26(33)32(38)41-24-9-5-6-10-24/h2-4,7-8,11-15,17,19-20,24,26H,5-6,9-10,16,18,33H2,1H3,(H,34,35)(H,36,37).
What are the key properties of cyclopentyl 2-amino-4-[4-(4-benzamidoanilino)-6-methoxyquinolin-7-yl]oxybutanoate?
cyclopentyl 2-amino-4-[4-(4-benzamidoanilino)-6-methoxyquinolin-7-yl]oxybutanoate has a molecular weight of 554.65 g/mol, XLogP of 5.82, 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-benzamidoanilino)-6-methoxyquinolin-7-yl]oxybutanoate is sourced from PubChem (CID 67265173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).