N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)quinoline-4-carboxamide

C24H24N4O2 — CID 995873

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)quinoline-4-carboxamide
SMILESCCn1cc(CNC(=O)c2cc(-c3ccccc3OC)nc3ccccc23)c(C)n1
InChIInChI=1S/C24H24N4O2/c1-4-28-15-17(16(2)27-28)14-25-24(29)20-13-22(19-10-6-8-12-23(19)30-3)26-21-11-7-5-9-18(20)21/h5-13,15H,4,14H2,1-3H3,(H,25,29)
InChIKeyUYHRXQKQTFJWBA-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.37
Rot. Bonds6

About N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)quinoline-4-carboxamide

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 995873) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)quinoline-4-carboxamide
PubChem CID995873
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)quinoline-4-carboxamide
SMILESCCn1cc(CNC(=O)c2cc(-c3ccccc3OC)nc3ccccc23)c(C)n1
InChIInChI=1S/C24H24N4O2/c1-4-28-15-17(16(2)27-28)14-25-24(29)20-13-22(19-10-6-8-12-23(19)30-3)26-21-11-7-5-9-18(20)21/h5-13,15H,4,14H2,1-3H3,(H,25,29)
InChIKeyUYHRXQKQTFJWBA-UHFFFAOYSA-N
XLogP4.37
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)quinoline-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-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)quinoline-4-carboxamide (CID 995873) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)quinoline-4-carboxamide is CCn1cc(CNC(=O)c2cc(-c3ccccc3OC)nc3ccccc23)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is UYHRXQKQTFJWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-4-28-15-17(16(2)27-28)14-25-24(29)20-13-22(19-10-6-8-12-23(19)30-3)26-21-11-7-5-9-18(20)21/h5-13,15H,4,14H2,1-3H3,(H,25,29).
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)quinoline-4-carboxamide?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 995873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).