2-(4-fluorophenyl)-4-(2-methyl-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide

C26H22FN7O — CID 122431689

IUPAC2-(4-fluorophenyl)-4-(2-methyl-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide
SMILESCc1cc(-c2nc(-c3ccc(F)cc3)nc3cc(C(=O)NCCCc4ncn[nH]4)ccc23)ccn1
InChIInChI=1S/C26H22FN7O/c1-16-13-18(10-12-28-16)24-21-9-6-19(26(35)29-11-2-3-23-30-15-31-34-23)14-22(21)32-25(33-24)17-4-7-20(27)8-5-17/h4-10,12-15H,2-3,11H2,1H3,(H,29,35)(H,30,31,34)
InChIKeyQEOLBFFNCSLRLW-UHFFFAOYSA-N
MW467.51 g/mol
LogP4.29
Rot. Bonds7

About 2-(4-fluorophenyl)-4-(2-methyl-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide

2-(4-fluorophenyl)-4-(2-methyl-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide (PubChem CID 122431689) has the molecular formula C26H22FN7O and a molecular weight of 467.51 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(2-methyl-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(2-methyl-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide
PubChem CID122431689
Molecular FormulaC26H22FN7O
Molecular Weight467.51 g/mol
Exact Mass467.19
IUPAC Name2-(4-fluorophenyl)-4-(2-methyl-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide
SMILESCc1cc(-c2nc(-c3ccc(F)cc3)nc3cc(C(=O)NCCCc4ncn[nH]4)ccc23)ccn1
InChIInChI=1S/C26H22FN7O/c1-16-13-18(10-12-28-16)24-21-9-6-19(26(35)29-11-2-3-23-30-15-31-34-23)14-22(21)32-25(33-24)17-4-7-20(27)8-5-17/h4-10,12-15H,2-3,11H2,1H3,(H,29,35)(H,30,31,34)
InChIKeyQEOLBFFNCSLRLW-UHFFFAOYSA-N
XLogP4.29
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.51
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(4-fluorophenyl)-4-(2-methyl-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-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

4-ethoxy-3-fluoro-2-(4-fluorophenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
CID 122431367
4-ethoxy-2-(4-methylphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
CID 134164673
N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-6-carboxamide
CID 64548430
3,4-dichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64547641
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-indazole-5-carboxamide
CID 64518388
3-hydroxy-4-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64548149
4-ethoxy-2-(1-methyl-2-oxo-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
CID 134164639
2-bromo-5-fluoro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64545931
4-bromo-3-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64531614
N-[2,2-difluoro-3-(1H-1,2,4-triazol-5-yl)propyl]-4-ethoxy-2-(4-fluorophenyl)quinoline-7-carboxamide
CID 122431668
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 64548674
3-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64519181

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-(2-methyl-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-4-(2-methyl-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide (CID 122431689) is 2-(4-fluorophenyl)-4-(2-methyl-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(2-methyl-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-4-(2-methyl-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide is Cc1cc(-c2nc(-c3ccc(F)cc3)nc3cc(C(=O)NCCCc4ncn[nH]4)ccc23)ccn1.
What is the InChIKey of 2-(4-fluorophenyl)-4-(2-methyl-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide?
The InChIKey is QEOLBFFNCSLRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN7O/c1-16-13-18(10-12-28-16)24-21-9-6-19(26(35)29-11-2-3-23-30-15-31-34-23)14-22(21)32-25(33-24)17-4-7-20(27)8-5-17/h4-10,12-15H,2-3,11H2,1H3,(H,29,35)(H,30,31,34).
What are the key properties of 2-(4-fluorophenyl)-4-(2-methyl-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide?
2-(4-fluorophenyl)-4-(2-methyl-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide has a molecular weight of 467.51 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(2-methyl-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide is sourced from PubChem (CID 122431689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).