N-(5-cyclohexa-2,4-dien-1-yl-8-methoxyquinolin-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide

C23H24N4O3 — CID 170141319

IUPACN-(5-cyclohexa-2,4-dien-1-yl-8-methoxyquinolin-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide
SMILESCOCCn1cc(C(=O)Nc2ccc3c(C4C=CC=CC4)ccc(OC)c3n2)cn1
InChIInChI=1S/C23H24N4O3/c1-29-13-12-27-15-17(14-24-27)23(28)26-21-11-9-19-18(16-6-4-3-5-7-16)8-10-20(30-2)22(19)25-21/h3-6,8-11,14-16H,7,12-13H2,1-2H3,(H,25,26,28)
InChIKeyJZKFWIUMJSYYSX-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.94
Rot. Bonds7

About N-(5-cyclohexa-2,4-dien-1-yl-8-methoxyquinolin-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide

N-(5-cyclohexa-2,4-dien-1-yl-8-methoxyquinolin-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide (PubChem CID 170141319) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-(5-cyclohexa-2,4-dien-1-yl-8-methoxyquinolin-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyclohexa-2,4-dien-1-yl-8-methoxyquinolin-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide
PubChem CID170141319
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-(5-cyclohexa-2,4-dien-1-yl-8-methoxyquinolin-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide
SMILESCOCCn1cc(C(=O)Nc2ccc3c(C4C=CC=CC4)ccc(OC)c3n2)cn1
InChIInChI=1S/C23H24N4O3/c1-29-13-12-27-15-17(14-24-27)23(28)26-21-11-9-19-18(16-6-4-3-5-7-16)8-10-20(30-2)22(19)25-21/h3-6,8-11,14-16H,7,12-13H2,1-2H3,(H,25,26,28)
InChIKeyJZKFWIUMJSYYSX-UHFFFAOYSA-N
XLogP3.94
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-cyclohexa-2,4-dien-1-yl-8-methoxyquinolin-2-yl)-1-(2-methoxyethyl)pyrazole-4-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-(5-cyclohexa-2,4-dien-1-yl-8-methoxyquinolin-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(5-cyclohexa-2,4-dien-1-yl-8-methoxyquinolin-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide (CID 170141319) is N-(5-cyclohexa-2,4-dien-1-yl-8-methoxyquinolin-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(5-cyclohexa-2,4-dien-1-yl-8-methoxyquinolin-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(5-cyclohexa-2,4-dien-1-yl-8-methoxyquinolin-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide is COCCn1cc(C(=O)Nc2ccc3c(C4C=CC=CC4)ccc(OC)c3n2)cn1.
What is the InChIKey of N-(5-cyclohexa-2,4-dien-1-yl-8-methoxyquinolin-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide?
The InChIKey is JZKFWIUMJSYYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-29-13-12-27-15-17(14-24-27)23(28)26-21-11-9-19-18(16-6-4-3-5-7-16)8-10-20(30-2)22(19)25-21/h3-6,8-11,14-16H,7,12-13H2,1-2H3,(H,25,26,28).
What are the key properties of N-(5-cyclohexa-2,4-dien-1-yl-8-methoxyquinolin-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide?
N-(5-cyclohexa-2,4-dien-1-yl-8-methoxyquinolin-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexa-2,4-dien-1-yl-8-methoxyquinolin-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 170141319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).