1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-octan-4-ylidenecyclopropane-1,1-dicarboxamide

C30H35N3O5 — CID 153399713

IUPAC1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-octan-4-ylidenecyclopropane-1,1-dicarboxamide
SMILESCCCC/C(CCC)=N/C(=O)C1(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2)CC1
InChIInChI=1S/C30H35N3O5/c1-5-7-9-20(8-6-2)32-28(34)30(15-16-30)29(35)33-21-10-12-22(13-11-21)38-25-14-17-31-24-19-27(37-4)26(36-3)18-23(24)25/h10-14,17-19H,5-9,15-16H2,1-4H3,(H,33,35)/b32-20+
InChIKeyTVCLIAMDEBHMHA-UZWMFBFFSA-N
MW517.63 g/mol
LogP6.72
Rot. Bonds12

About 1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-octan-4-ylidenecyclopropane-1,1-dicarboxamide

1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-octan-4-ylidenecyclopropane-1,1-dicarboxamide (PubChem CID 153399713) has the molecular formula C30H35N3O5 and a molecular weight of 517.63 g/mol. Its IUPAC name is 1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-octan-4-ylidenecyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-octan-4-ylidenecyclopropane-1,1-dicarboxamide
PubChem CID153399713
Molecular FormulaC30H35N3O5
Molecular Weight517.63 g/mol
Exact Mass517.26
IUPAC Name1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-octan-4-ylidenecyclopropane-1,1-dicarboxamide
SMILESCCCC/C(CCC)=N/C(=O)C1(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2)CC1
InChIInChI=1S/C30H35N3O5/c1-5-7-9-20(8-6-2)32-28(34)30(15-16-30)29(35)33-21-10-12-22(13-11-21)38-25-14-17-31-24-19-27(37-4)26(36-3)18-23(24)25/h10-14,17-19H,5-9,15-16H2,1-4H3,(H,33,35)/b32-20+
InChIKeyTVCLIAMDEBHMHA-UZWMFBFFSA-N
XLogP6.72
TPSA99.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.63
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-octan-4-ylidenecyclopropane-1,1-dicarboxamide 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

1-N'-(4-fluorophenyl)-1-N-[4-[6-[4-(hydroxyamino)-4-oxobutoxy]-7-methoxyquinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 71465938
1-N'-(4-fluorophenyl)-1-N-[4-[7-[5-(hydroxyamino)-5-oxopentoxy]-6-methoxyquinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 71465781
1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;phosphoric acid
CID 122573028
1-N'-(4-fluorophenyl)-1-N-[4-[6-[6-(hydroxyamino)-6-oxohexoxy]-7-methoxyquinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 71466000
1-[[4-(7-methoxy-6-methylsulfonyloxyquinolin-4-yl)oxyphenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 126727714
[4-[4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl] N,N-dimethylcarbamate
CID 142610293
methyl 3-[[1-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]cyclopropanecarbonyl]amino]bicyclo[1.1.1]pentane-1-carboxylate
CID 146332238
6-decoxy-4-[4-[[1-[(4-methylphenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]quinoline-7-carboxylic acid
CID 134166094
ethyl 2-[[1-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]cyclopropanecarbonyl]amino]-3,6-dimethylcyclohexene-1-carboxylate
CID 170205859
bis(1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide);(2S)-2-hydroxybutanedioic acid
CID 86566815
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-(3-phenyl-1-bicyclo[1.1.1]pentanyl)cyclopropane-1,1-dicarboxamide
CID 146332455

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-octan-4-ylidenecyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-octan-4-ylidenecyclopropane-1,1-dicarboxamide (CID 153399713) is 1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-octan-4-ylidenecyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-octan-4-ylidenecyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-octan-4-ylidenecyclopropane-1,1-dicarboxamide is CCCC/C(CCC)=N/C(=O)C1(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2)CC1.
What is the InChIKey of 1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-octan-4-ylidenecyclopropane-1,1-dicarboxamide?
The InChIKey is TVCLIAMDEBHMHA-UZWMFBFFSA-N. The full InChI is InChI=1S/C30H35N3O5/c1-5-7-9-20(8-6-2)32-28(34)30(15-16-30)29(35)33-21-10-12-22(13-11-21)38-25-14-17-31-24-19-27(37-4)26(36-3)18-23(24)25/h10-14,17-19H,5-9,15-16H2,1-4H3,(H,33,35)/b32-20+.
What are the key properties of 1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-octan-4-ylidenecyclopropane-1,1-dicarboxamide?
1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-octan-4-ylidenecyclopropane-1,1-dicarboxamide has a molecular weight of 517.63 g/mol, XLogP of 6.72, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-octan-4-ylidenecyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 153399713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).