4-ethoxy-2-(2-methoxyphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide

C24H25N5O3 — CID 134164652

IUPAC4-ethoxy-2-(2-methoxyphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccccc2OC)nc2cc(C(=O)NCCCc3ncn[nH]3)ccc12
InChIInChI=1S/C24H25N5O3/c1-3-32-22-14-20(17-7-4-5-8-21(17)31-2)28-19-13-16(10-11-18(19)22)24(30)25-12-6-9-23-26-15-27-29-23/h4-5,7-8,10-11,13-15H,3,6,9,12H2,1-2H3,(H,25,30)(H,26,27,29)
InChIKeyVZRNFRRZTHZXTP-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.79
Rot. Bonds9

About 4-ethoxy-2-(2-methoxyphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide

4-ethoxy-2-(2-methoxyphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide (PubChem CID 134164652) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 4-ethoxy-2-(2-methoxyphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(2-methoxyphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
PubChem CID134164652
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name4-ethoxy-2-(2-methoxyphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccccc2OC)nc2cc(C(=O)NCCCc3ncn[nH]3)ccc12
InChIInChI=1S/C24H25N5O3/c1-3-32-22-14-20(17-7-4-5-8-21(17)31-2)28-19-13-16(10-11-18(19)22)24(30)25-12-6-9-23-26-15-27-29-23/h4-5,7-8,10-11,13-15H,3,6,9,12H2,1-2H3,(H,25,30)(H,26,27,29)
InChIKeyVZRNFRRZTHZXTP-UHFFFAOYSA-N
XLogP3.79
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-ethoxy-2-(2-methoxyphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-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 4-ethoxy-2-(2-methoxyphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(2-methoxyphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide (CID 134164652) is 4-ethoxy-2-(2-methoxyphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(2-methoxyphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(2-methoxyphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide is CCOc1cc(-c2ccccc2OC)nc2cc(C(=O)NCCCc3ncn[nH]3)ccc12.
What is the InChIKey of 4-ethoxy-2-(2-methoxyphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide?
The InChIKey is VZRNFRRZTHZXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-3-32-22-14-20(17-7-4-5-8-21(17)31-2)28-19-13-16(10-11-18(19)22)24(30)25-12-6-9-23-26-15-27-29-23/h4-5,7-8,10-11,13-15H,3,6,9,12H2,1-2H3,(H,25,30)(H,26,27,29).
What are the key properties of 4-ethoxy-2-(2-methoxyphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide?
4-ethoxy-2-(2-methoxyphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(2-methoxyphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide is sourced from PubChem (CID 134164652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).