N-[4-(4-benzylpiperazin-1-yl)quinolin-3-yl]-4-methoxybenzamide

C28H28N4O2 — CID 156771109

IUPACN-[4-(4-benzylpiperazin-1-yl)quinolin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cnc3ccccc3c2N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C28H28N4O2/c1-34-23-13-11-22(12-14-23)28(33)30-26-19-29-25-10-6-5-9-24(25)27(26)32-17-15-31(16-18-32)20-21-7-3-2-4-8-21/h2-14,19H,15-18,20H2,1H3,(H,30,33)
InChIKeyIGWKARZOCJDOSQ-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.82
Rot. Bonds6

About N-[4-(4-benzylpiperazin-1-yl)quinolin-3-yl]-4-methoxybenzamide

N-[4-(4-benzylpiperazin-1-yl)quinolin-3-yl]-4-methoxybenzamide (PubChem CID 156771109) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[4-(4-benzylpiperazin-1-yl)quinolin-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperazin-1-yl)quinolin-3-yl]-4-methoxybenzamide
PubChem CID156771109
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC NameN-[4-(4-benzylpiperazin-1-yl)quinolin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cnc3ccccc3c2N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C28H28N4O2/c1-34-23-13-11-22(12-14-23)28(33)30-26-19-29-25-10-6-5-9-24(25)27(26)32-17-15-31(16-18-32)20-21-7-3-2-4-8-21/h2-14,19H,15-18,20H2,1H3,(H,30,33)
InChIKeyIGWKARZOCJDOSQ-UHFFFAOYSA-N
XLogP4.82
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperazin-1-yl)quinolin-3-yl]-4-methoxybenzamide?
The IUPAC name of N-[4-(4-benzylpiperazin-1-yl)quinolin-3-yl]-4-methoxybenzamide (CID 156771109) is N-[4-(4-benzylpiperazin-1-yl)quinolin-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-(4-benzylpiperazin-1-yl)quinolin-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[4-(4-benzylpiperazin-1-yl)quinolin-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cnc3ccccc3c2N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-(4-benzylpiperazin-1-yl)quinolin-3-yl]-4-methoxybenzamide?
The InChIKey is IGWKARZOCJDOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-34-23-13-11-22(12-14-23)28(33)30-26-19-29-25-10-6-5-9-24(25)27(26)32-17-15-31(16-18-32)20-21-7-3-2-4-8-21/h2-14,19H,15-18,20H2,1H3,(H,30,33).
What are the key properties of N-[4-(4-benzylpiperazin-1-yl)quinolin-3-yl]-4-methoxybenzamide?
N-[4-(4-benzylpiperazin-1-yl)quinolin-3-yl]-4-methoxybenzamide has a molecular weight of 452.56 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperazin-1-yl)quinolin-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 156771109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).