N-[4-methyl-3-[3-[(4-methylpiperazin-1-yl)methyl]anilino]phenyl]dibenzofuran-4-carboxamide

C32H32N4O2 — CID 70203797

IUPACN-[4-methyl-3-[3-[(4-methylpiperazin-1-yl)methyl]anilino]phenyl]dibenzofuran-4-carboxamide
SMILESCc1ccc(NC(=O)c2cccc3c2oc2ccccc23)cc1Nc1cccc(CN2CCN(C)CC2)c1
InChIInChI=1S/C32H32N4O2/c1-22-13-14-25(34-32(37)28-11-6-10-27-26-9-3-4-12-30(26)38-31(27)28)20-29(22)33-24-8-5-7-23(19-24)21-36-17-15-35(2)16-18-36/h3-14,19-20,33H,15-18,21H2,1-2H3,(H,34,37)
InChIKeyZOUZXHGSVVBRKO-UHFFFAOYSA-N
MW504.63 g/mol
LogP6.64
Rot. Bonds6

About N-[4-methyl-3-[3-[(4-methylpiperazin-1-yl)methyl]anilino]phenyl]dibenzofuran-4-carboxamide

N-[4-methyl-3-[3-[(4-methylpiperazin-1-yl)methyl]anilino]phenyl]dibenzofuran-4-carboxamide (PubChem CID 70203797) has the molecular formula C32H32N4O2 and a molecular weight of 504.63 g/mol. Its IUPAC name is N-[4-methyl-3-[3-[(4-methylpiperazin-1-yl)methyl]anilino]phenyl]dibenzofuran-4-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-[3-[(4-methylpiperazin-1-yl)methyl]anilino]phenyl]dibenzofuran-4-carboxamide
PubChem CID70203797
Molecular FormulaC32H32N4O2
Molecular Weight504.63 g/mol
Exact Mass504.25
IUPAC NameN-[4-methyl-3-[3-[(4-methylpiperazin-1-yl)methyl]anilino]phenyl]dibenzofuran-4-carboxamide
SMILESCc1ccc(NC(=O)c2cccc3c2oc2ccccc23)cc1Nc1cccc(CN2CCN(C)CC2)c1
InChIInChI=1S/C32H32N4O2/c1-22-13-14-25(34-32(37)28-11-6-10-27-26-9-3-4-12-30(26)38-31(27)28)20-29(22)33-24-8-5-7-23(19-24)21-36-17-15-35(2)16-18-36/h3-14,19-20,33H,15-18,21H2,1-2H3,(H,34,37)
InChIKeyZOUZXHGSVVBRKO-UHFFFAOYSA-N
XLogP6.64
TPSA60.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.63
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-methyl-3-[[2-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]amino]phenyl]dibenzofuran-4-carboxamide
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N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
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3-[3-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]phenyl]propanoic acid
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1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
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4-(3-fluoroanilino)-N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]phenyl]pyrrolo[2,3-d]pyrimidine-7-carboxamide
CID 11410776
2-methyl-N-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[3-[(4-methylpiperazin-1-yl)methyl]anilino]phenyl]dibenzofuran-4-carboxamide?
The IUPAC name of N-[4-methyl-3-[3-[(4-methylpiperazin-1-yl)methyl]anilino]phenyl]dibenzofuran-4-carboxamide (CID 70203797) is N-[4-methyl-3-[3-[(4-methylpiperazin-1-yl)methyl]anilino]phenyl]dibenzofuran-4-carboxamide.
What is the SMILES notation for N-[4-methyl-3-[3-[(4-methylpiperazin-1-yl)methyl]anilino]phenyl]dibenzofuran-4-carboxamide?
The canonical SMILES for N-[4-methyl-3-[3-[(4-methylpiperazin-1-yl)methyl]anilino]phenyl]dibenzofuran-4-carboxamide is Cc1ccc(NC(=O)c2cccc3c2oc2ccccc23)cc1Nc1cccc(CN2CCN(C)CC2)c1.
What is the InChIKey of N-[4-methyl-3-[3-[(4-methylpiperazin-1-yl)methyl]anilino]phenyl]dibenzofuran-4-carboxamide?
The InChIKey is ZOUZXHGSVVBRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O2/c1-22-13-14-25(34-32(37)28-11-6-10-27-26-9-3-4-12-30(26)38-31(27)28)20-29(22)33-24-8-5-7-23(19-24)21-36-17-15-35(2)16-18-36/h3-14,19-20,33H,15-18,21H2,1-2H3,(H,34,37).
What are the key properties of N-[4-methyl-3-[3-[(4-methylpiperazin-1-yl)methyl]anilino]phenyl]dibenzofuran-4-carboxamide?
N-[4-methyl-3-[3-[(4-methylpiperazin-1-yl)methyl]anilino]phenyl]dibenzofuran-4-carboxamide has a molecular weight of 504.63 g/mol, XLogP of 6.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[3-[(4-methylpiperazin-1-yl)methyl]anilino]phenyl]dibenzofuran-4-carboxamide is sourced from PubChem (CID 70203797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).