4-ethoxy-2-(3-methylphenyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide

C25H27N5O2 — CID 134164669

IUPAC4-ethoxy-2-(3-methylphenyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2cccc(C)c2)nc2cc(C(=O)NCCCc3n[nH]nc3C)ccc12
InChIInChI=1S/C25H27N5O2/c1-4-32-24-15-22(18-8-5-7-16(2)13-18)27-23-14-19(10-11-20(23)24)25(31)26-12-6-9-21-17(3)28-30-29-21/h5,7-8,10-11,13-15H,4,6,9,12H2,1-3H3,(H,26,31)(H,28,29,30)
InChIKeyRDJKDFPOIMEIDH-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.40
Rot. Bonds8

About 4-ethoxy-2-(3-methylphenyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide

4-ethoxy-2-(3-methylphenyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide (PubChem CID 134164669) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 4-ethoxy-2-(3-methylphenyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(3-methylphenyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide
PubChem CID134164669
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name4-ethoxy-2-(3-methylphenyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2cccc(C)c2)nc2cc(C(=O)NCCCc3n[nH]nc3C)ccc12
InChIInChI=1S/C25H27N5O2/c1-4-32-24-15-22(18-8-5-7-16(2)13-18)27-23-14-19(10-11-20(23)24)25(31)26-12-6-9-21-17(3)28-30-29-21/h5,7-8,10-11,13-15H,4,6,9,12H2,1-3H3,(H,26,31)(H,28,29,30)
InChIKeyRDJKDFPOIMEIDH-UHFFFAOYSA-N
XLogP4.40
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-ethoxy-2-(3-methylphenyl)-N-[3-(5-methyl-2H-triazol-4-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

Related Compounds

N-[3-(2,3-dihydro-1H-1,2,4-triazol-5-yl)propyl]-4-ethoxy-2-[3-(trifluoromethyl)phenyl]quinoline-7-carboxamide
CID 122431453
4-ethoxy-2-(4-methylphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
CID 134164673
4-ethoxy-2-(6-methoxy-3-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide
CID 122431858
4-ethoxy-2-(1-methyl-2-oxo-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
CID 134164639
4-ethoxy-2-(6-methyl-2-oxo-1H-pyridin-3-yl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide
CID 146259096
4-ethoxy-2-(4-fluoro-2-methoxyphenyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide
CID 122431466
2-cyclopropyl-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide
CID 122423973
2-(3-chlorophenyl)-4-ethoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide
CID 46318912
2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide
CID 4535019
4-ethoxy-2-(4-fluorophenyl)-N-[(3Z)-3-hydrazinylidene-4-iminopentyl]quinoline-7-carboxamide
CID 145126632
4-ethoxy-N-(4-methylphenyl)-2-phenylquinoline-6-carboxamide
CID 46318814
N-[2,2-difluoro-3-(1H-1,2,4-triazol-5-yl)propyl]-4-ethoxy-2-(4-fluorophenyl)quinoline-7-carboxamide
CID 122431668

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(3-methylphenyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(3-methylphenyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide (CID 134164669) is 4-ethoxy-2-(3-methylphenyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(3-methylphenyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(3-methylphenyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide is CCOc1cc(-c2cccc(C)c2)nc2cc(C(=O)NCCCc3n[nH]nc3C)ccc12.
What is the InChIKey of 4-ethoxy-2-(3-methylphenyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide?
The InChIKey is RDJKDFPOIMEIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-4-32-24-15-22(18-8-5-7-16(2)13-18)27-23-14-19(10-11-20(23)24)25(31)26-12-6-9-21-17(3)28-30-29-21/h5,7-8,10-11,13-15H,4,6,9,12H2,1-3H3,(H,26,31)(H,28,29,30).
What are the key properties of 4-ethoxy-2-(3-methylphenyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide?
4-ethoxy-2-(3-methylphenyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(3-methylphenyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide is sourced from PubChem (CID 134164669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).