3-[4-(4-methylpiperazin-1-yl)anilino]-2H-[1]benzofuro[2,3-c]pyridin-7-one

C22H22N4O2 — CID 176913872

IUPAC3-[4-(4-methylpiperazin-1-yl)anilino]-2H-[1]benzofuro[2,3-c]pyridin-7-one
SMILESCN1CCN(c2ccc(Nc3cc4c(c[nH]3)oc3cc(=O)ccc34)cc2)CC1
InChIInChI=1S/C22H22N4O2/c1-25-8-10-26(11-9-25)16-4-2-15(3-5-16)24-22-13-19-18-7-6-17(27)12-20(18)28-21(19)14-23-22/h2-7,12-14,23-24H,8-11H2,1H3
InChIKeyKYRZJYLQLJFCIU-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.77
Rot. Bonds3

About 3-[4-(4-methylpiperazin-1-yl)anilino]-2H-[1]benzofuro[2,3-c]pyridin-7-one

3-[4-(4-methylpiperazin-1-yl)anilino]-2H-[1]benzofuro[2,3-c]pyridin-7-one (PubChem CID 176913872) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-[4-(4-methylpiperazin-1-yl)anilino]-2H-[1]benzofuro[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name3-[4-(4-methylpiperazin-1-yl)anilino]-2H-[1]benzofuro[2,3-c]pyridin-7-one
PubChem CID176913872
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name3-[4-(4-methylpiperazin-1-yl)anilino]-2H-[1]benzofuro[2,3-c]pyridin-7-one
SMILESCN1CCN(c2ccc(Nc3cc4c(c[nH]3)oc3cc(=O)ccc34)cc2)CC1
InChIInChI=1S/C22H22N4O2/c1-25-8-10-26(11-9-25)16-4-2-15(3-5-16)24-22-13-19-18-7-6-17(27)12-20(18)28-21(19)14-23-22/h2-7,12-14,23-24H,8-11H2,1H3
InChIKeyKYRZJYLQLJFCIU-UHFFFAOYSA-N
XLogP3.77
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3-[4-(4-methylpiperazin-1-yl)anilino]-2H-[1]benzofuro[2,3-c]pyridin-7-one 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-[2-(methylamino)ethyl]-7-(4-methylpiperazin-1-yl)chromen-2-one
CID 155268009
N-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrrol-2-amine
CID 174920939
5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-2-carboxamide
CID 109179197
3-(4-chlorophenyl)-1-ethyl-4-[4-(4-methylpiperazin-1-yl)anilino]pyrrole-2,5-dione
CID 110599265
N-(3-chloro-4-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 109008673
4-amino-6-methyl-3-[4-(4-methylpiperazin-1-yl)anilino]-1,2,4-triazin-5-one
CID 7541198
1-(3,4-dimethoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108866230
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-[(1-oxo-2H-isoquinolin-6-yl)amino]-1H-pyridine-3-carboxamide
CID 171622477
1-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-morpholin-4-ylphenyl)hydrazine
CID 123306233
2-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 155987750
5-bromo-2-[4-(4-methylpiperazin-1-yl)anilino]-1H-pyrimidin-6-one
CID 71143055
N-[1-[(1-cyanocyclopropyl)carbamoyl]cyclohexyl]-8-(4-methylpiperazin-1-yl)dibenzofuran-3-carboxamide
CID 156807004

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylpiperazin-1-yl)anilino]-2H-[1]benzofuro[2,3-c]pyridin-7-one?
The IUPAC name of 3-[4-(4-methylpiperazin-1-yl)anilino]-2H-[1]benzofuro[2,3-c]pyridin-7-one (CID 176913872) is 3-[4-(4-methylpiperazin-1-yl)anilino]-2H-[1]benzofuro[2,3-c]pyridin-7-one.
What is the SMILES notation for 3-[4-(4-methylpiperazin-1-yl)anilino]-2H-[1]benzofuro[2,3-c]pyridin-7-one?
The canonical SMILES for 3-[4-(4-methylpiperazin-1-yl)anilino]-2H-[1]benzofuro[2,3-c]pyridin-7-one is CN1CCN(c2ccc(Nc3cc4c(c[nH]3)oc3cc(=O)ccc34)cc2)CC1.
What is the InChIKey of 3-[4-(4-methylpiperazin-1-yl)anilino]-2H-[1]benzofuro[2,3-c]pyridin-7-one?
The InChIKey is KYRZJYLQLJFCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-25-8-10-26(11-9-25)16-4-2-15(3-5-16)24-22-13-19-18-7-6-17(27)12-20(18)28-21(19)14-23-22/h2-7,12-14,23-24H,8-11H2,1H3.
What are the key properties of 3-[4-(4-methylpiperazin-1-yl)anilino]-2H-[1]benzofuro[2,3-c]pyridin-7-one?
3-[4-(4-methylpiperazin-1-yl)anilino]-2H-[1]benzofuro[2,3-c]pyridin-7-one has a molecular weight of 374.44 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylpiperazin-1-yl)anilino]-2H-[1]benzofuro[2,3-c]pyridin-7-one is sourced from PubChem (CID 176913872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).