5-[3-[4-[(3-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]propyl]-1-methyl-4H-[1,2,4]triazolo[4,3-a]quinoxaline

C32H35N5O — CID 21478651

IUPAC5-[3-[4-[(3-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]propyl]-1-methyl-4H-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCOc1cccc(C(=C2CCN(CCCN3Cc4nnc(C)n4-c4ccccc43)CC2)c2ccccc2)c1
InChIInChI=1S/C32H35N5O/c1-24-33-34-31-23-36(29-14-6-7-15-30(29)37(24)31)19-9-18-35-20-16-26(17-21-35)32(25-10-4-3-5-11-25)27-12-8-13-28(22-27)38-2/h3-8,10-15,22H,9,16-21,23H2,1-2H3
InChIKeyUZYWELOXMMLNFX-UHFFFAOYSA-N
MW505.67 g/mol
LogP5.89
Rot. Bonds7

About 5-[3-[4-[(3-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]propyl]-1-methyl-4H-[1,2,4]triazolo[4,3-a]quinoxaline

5-[3-[4-[(3-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]propyl]-1-methyl-4H-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 21478651) has the molecular formula C32H35N5O and a molecular weight of 505.67 g/mol. Its IUPAC name is 5-[3-[4-[(3-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]propyl]-1-methyl-4H-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name5-[3-[4-[(3-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]propyl]-1-methyl-4H-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID21478651
Molecular FormulaC32H35N5O
Molecular Weight505.67 g/mol
Exact Mass505.28
IUPAC Name5-[3-[4-[(3-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]propyl]-1-methyl-4H-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCOc1cccc(C(=C2CCN(CCCN3Cc4nnc(C)n4-c4ccccc43)CC2)c2ccccc2)c1
InChIInChI=1S/C32H35N5O/c1-24-33-34-31-23-36(29-14-6-7-15-30(29)37(24)31)19-9-18-35-20-16-26(17-21-35)32(25-10-4-3-5-11-25)27-12-8-13-28(22-27)38-2/h3-8,10-15,22H,9,16-21,23H2,1-2H3
InChIKeyUZYWELOXMMLNFX-UHFFFAOYSA-N
XLogP5.89
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.67
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[3-[4-[(3-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]propyl]-1-methyl-4H-[1,2,4]triazolo[4,3-a]quinoxaline 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 5-[3-[4-[(3-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]propyl]-1-methyl-4H-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 5-[3-[4-[(3-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]propyl]-1-methyl-4H-[1,2,4]triazolo[4,3-a]quinoxaline (CID 21478651) is 5-[3-[4-[(3-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]propyl]-1-methyl-4H-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 5-[3-[4-[(3-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]propyl]-1-methyl-4H-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 5-[3-[4-[(3-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]propyl]-1-methyl-4H-[1,2,4]triazolo[4,3-a]quinoxaline is COc1cccc(C(=C2CCN(CCCN3Cc4nnc(C)n4-c4ccccc43)CC2)c2ccccc2)c1.
What is the InChIKey of 5-[3-[4-[(3-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]propyl]-1-methyl-4H-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is UZYWELOXMMLNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O/c1-24-33-34-31-23-36(29-14-6-7-15-30(29)37(24)31)19-9-18-35-20-16-26(17-21-35)32(25-10-4-3-5-11-25)27-12-8-13-28(22-27)38-2/h3-8,10-15,22H,9,16-21,23H2,1-2H3.
What are the key properties of 5-[3-[4-[(3-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]propyl]-1-methyl-4H-[1,2,4]triazolo[4,3-a]quinoxaline?
5-[3-[4-[(3-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]propyl]-1-methyl-4H-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 505.67 g/mol, XLogP of 5.89, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-[(3-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]propyl]-1-methyl-4H-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 21478651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).