methyl 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-[(3-methoxybenzoyl)amino]propanoate

C29H28N2O7 — CID 139803948

IUPACmethyl 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-[(3-methoxybenzoyl)amino]propanoate
SMILESCOC(=O)C(Cc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1)NC(=O)c1cccc(OC)c1
InChIInChI=1S/C29H28N2O7/c1-34-21-7-5-6-19(15-21)28(32)31-24(29(33)37-4)14-18-8-10-20(11-9-18)38-25-12-13-30-23-17-27(36-3)26(35-2)16-22(23)25/h5-13,15-17,24H,14H2,1-4H3,(H,31,32)
InChIKeyVPJMTDGUBRYJDD-UHFFFAOYSA-N
MW516.55 g/mol
LogP4.57
Rot. Bonds10

About methyl 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-[(3-methoxybenzoyl)amino]propanoate

methyl 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-[(3-methoxybenzoyl)amino]propanoate (PubChem CID 139803948) has the molecular formula C29H28N2O7 and a molecular weight of 516.55 g/mol. Its IUPAC name is methyl 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-[(3-methoxybenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-[(3-methoxybenzoyl)amino]propanoate
PubChem CID139803948
Molecular FormulaC29H28N2O7
Molecular Weight516.55 g/mol
Exact Mass516.19
IUPAC Namemethyl 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-[(3-methoxybenzoyl)amino]propanoate
SMILESCOC(=O)C(Cc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1)NC(=O)c1cccc(OC)c1
InChIInChI=1S/C29H28N2O7/c1-34-21-7-5-6-19(15-21)28(32)31-24(29(33)37-4)14-18-8-10-20(11-9-18)38-25-12-13-30-23-17-27(36-3)26(35-2)16-22(23)25/h5-13,15-17,24H,14H2,1-4H3,(H,31,32)
InChIKeyVPJMTDGUBRYJDD-UHFFFAOYSA-N
XLogP4.57
TPSA105.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.55
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-[(3-methoxybenzoyl)amino]propanoate 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

methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate
CID 71377074
ethyl 2-benzamido-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetate
CID 139803936
methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate
CID 10360063
methyl 3-[5-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2,4-dioxopentyl]benzoate
CID 58249424
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-[(1R)-1-phenylethyl]benzamide
CID 167614869
N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-2-(3-methoxyphenyl)acetamide
CID 59791994
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridine-3-carboxamide
CID 22132777
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-5-(3-hydroxyphenyl)pentane-2,4-dione
CID 58249480
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-5-(4-methylphenyl)pentane-2,4-dione
CID 58249515
1-(3-chlorophenyl)-5-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pentane-2,4-dione
CID 58249375
N-benzyl-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-2-carboxamide
CID 67520391

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-[(3-methoxybenzoyl)amino]propanoate?
The IUPAC name of methyl 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-[(3-methoxybenzoyl)amino]propanoate (CID 139803948) is methyl 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-[(3-methoxybenzoyl)amino]propanoate.
What is the SMILES notation for methyl 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-[(3-methoxybenzoyl)amino]propanoate?
The canonical SMILES for methyl 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-[(3-methoxybenzoyl)amino]propanoate is COC(=O)C(Cc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1)NC(=O)c1cccc(OC)c1.
What is the InChIKey of methyl 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-[(3-methoxybenzoyl)amino]propanoate?
The InChIKey is VPJMTDGUBRYJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O7/c1-34-21-7-5-6-19(15-21)28(32)31-24(29(33)37-4)14-18-8-10-20(11-9-18)38-25-12-13-30-23-17-27(36-3)26(35-2)16-22(23)25/h5-13,15-17,24H,14H2,1-4H3,(H,31,32).
What are the key properties of methyl 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-[(3-methoxybenzoyl)amino]propanoate?
methyl 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-[(3-methoxybenzoyl)amino]propanoate has a molecular weight of 516.55 g/mol, XLogP of 4.57, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-[(3-methoxybenzoyl)amino]propanoate is sourced from PubChem (CID 139803948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).