N-[6-(6,7-dimethoxyquinolin-4-yl)oxycyclododecyl]-4-ethoxy-1-methylpyrazole-3-carboxamide

C30H42N4O5 — CID 134396138

IUPACN-[6-(6,7-dimethoxyquinolin-4-yl)oxycyclododecyl]-4-ethoxy-1-methylpyrazole-3-carboxamide
SMILESCCOc1cn(C)nc1C(=O)NC1CCCCCCC(Oc2ccnc3cc(OC)c(OC)cc23)CCCC1
InChIInChI=1S/C30H42N4O5/c1-5-38-28-20-34(2)33-29(28)30(35)32-21-12-8-6-7-9-14-22(15-11-10-13-21)39-25-16-17-31-24-19-27(37-4)26(36-3)18-23(24)25/h16-22H,5-15H2,1-4H3,(H,32,35)
InChIKeyVUTIPNQEKCUBRG-UHFFFAOYSA-N
MW538.69 g/mol
LogP5.84
Rot. Bonds8

About N-[6-(6,7-dimethoxyquinolin-4-yl)oxycyclododecyl]-4-ethoxy-1-methylpyrazole-3-carboxamide

N-[6-(6,7-dimethoxyquinolin-4-yl)oxycyclododecyl]-4-ethoxy-1-methylpyrazole-3-carboxamide (PubChem CID 134396138) has the molecular formula C30H42N4O5 and a molecular weight of 538.69 g/mol. Its IUPAC name is N-[6-(6,7-dimethoxyquinolin-4-yl)oxycyclododecyl]-4-ethoxy-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(6,7-dimethoxyquinolin-4-yl)oxycyclododecyl]-4-ethoxy-1-methylpyrazole-3-carboxamide
PubChem CID134396138
Molecular FormulaC30H42N4O5
Molecular Weight538.69 g/mol
Exact Mass538.32
IUPAC NameN-[6-(6,7-dimethoxyquinolin-4-yl)oxycyclododecyl]-4-ethoxy-1-methylpyrazole-3-carboxamide
SMILESCCOc1cn(C)nc1C(=O)NC1CCCCCCC(Oc2ccnc3cc(OC)c(OC)cc23)CCCC1
InChIInChI=1S/C30H42N4O5/c1-5-38-28-20-34(2)33-29(28)30(35)32-21-12-8-6-7-9-14-22(15-11-10-13-21)39-25-16-17-31-24-19-27(37-4)26(36-3)18-23(24)25/h16-22H,5-15H2,1-4H3,(H,32,35)
InChIKeyVUTIPNQEKCUBRG-UHFFFAOYSA-N
XLogP5.84
TPSA96.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.69
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-(6,7-dimethoxyquinolin-4-yl)oxycyclododecyl]-4-ethoxy-1-methylpyrazole-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(6,7-dimethoxyquinolin-4-yl)oxycyclododecyl]-4-ethoxy-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[6-(6,7-dimethoxyquinolin-4-yl)oxycyclododecyl]-4-ethoxy-1-methylpyrazole-3-carboxamide (CID 134396138) is N-[6-(6,7-dimethoxyquinolin-4-yl)oxycyclododecyl]-4-ethoxy-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[6-(6,7-dimethoxyquinolin-4-yl)oxycyclododecyl]-4-ethoxy-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[6-(6,7-dimethoxyquinolin-4-yl)oxycyclododecyl]-4-ethoxy-1-methylpyrazole-3-carboxamide is CCOc1cn(C)nc1C(=O)NC1CCCCCCC(Oc2ccnc3cc(OC)c(OC)cc23)CCCC1.
What is the InChIKey of N-[6-(6,7-dimethoxyquinolin-4-yl)oxycyclododecyl]-4-ethoxy-1-methylpyrazole-3-carboxamide?
The InChIKey is VUTIPNQEKCUBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N4O5/c1-5-38-28-20-34(2)33-29(28)30(35)32-21-12-8-6-7-9-14-22(15-11-10-13-21)39-25-16-17-31-24-19-27(37-4)26(36-3)18-23(24)25/h16-22H,5-15H2,1-4H3,(H,32,35).
What are the key properties of N-[6-(6,7-dimethoxyquinolin-4-yl)oxycyclododecyl]-4-ethoxy-1-methylpyrazole-3-carboxamide?
N-[6-(6,7-dimethoxyquinolin-4-yl)oxycyclododecyl]-4-ethoxy-1-methylpyrazole-3-carboxamide has a molecular weight of 538.69 g/mol, XLogP of 5.84, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(6,7-dimethoxyquinolin-4-yl)oxycyclododecyl]-4-ethoxy-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 134396138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).