N-[4-(4-phenylpiperazin-1-yl)butyl]quinoline-6-carboxamide

C24H28N4O — CID 24769156

IUPACN-[4-(4-phenylpiperazin-1-yl)butyl]quinoline-6-carboxamide
SMILESO=C(NCCCCN1CCN(c2ccccc2)CC1)c1ccc2ncccc2c1
InChIInChI=1S/C24H28N4O/c29-24(21-10-11-23-20(19-21)7-6-13-25-23)26-12-4-5-14-27-15-17-28(18-16-27)22-8-2-1-3-9-22/h1-3,6-11,13,19H,4-5,12,14-18H2,(H,26,29)
InChIKeyOURPZJJZFFKVJH-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.57
Rot. Bonds7

About N-[4-(4-phenylpiperazin-1-yl)butyl]quinoline-6-carboxamide

N-[4-(4-phenylpiperazin-1-yl)butyl]quinoline-6-carboxamide (PubChem CID 24769156) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-[4-(4-phenylpiperazin-1-yl)butyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[4-(4-phenylpiperazin-1-yl)butyl]quinoline-6-carboxamide
PubChem CID24769156
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN-[4-(4-phenylpiperazin-1-yl)butyl]quinoline-6-carboxamide
SMILESO=C(NCCCCN1CCN(c2ccccc2)CC1)c1ccc2ncccc2c1
InChIInChI=1S/C24H28N4O/c29-24(21-10-11-23-20(19-21)7-6-13-25-23)26-12-4-5-14-27-15-17-28(18-16-27)22-8-2-1-3-9-22/h1-3,6-11,13,19H,4-5,12,14-18H2,(H,26,29)
InChIKeyOURPZJJZFFKVJH-UHFFFAOYSA-N
XLogP3.57
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-phenylpiperazin-1-yl)butyl]quinoline-6-carboxamide?
The IUPAC name of N-[4-(4-phenylpiperazin-1-yl)butyl]quinoline-6-carboxamide (CID 24769156) is N-[4-(4-phenylpiperazin-1-yl)butyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[4-(4-phenylpiperazin-1-yl)butyl]quinoline-6-carboxamide?
The canonical SMILES for N-[4-(4-phenylpiperazin-1-yl)butyl]quinoline-6-carboxamide is O=C(NCCCCN1CCN(c2ccccc2)CC1)c1ccc2ncccc2c1.
What is the InChIKey of N-[4-(4-phenylpiperazin-1-yl)butyl]quinoline-6-carboxamide?
The InChIKey is OURPZJJZFFKVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c29-24(21-10-11-23-20(19-21)7-6-13-25-23)26-12-4-5-14-27-15-17-28(18-16-27)22-8-2-1-3-9-22/h1-3,6-11,13,19H,4-5,12,14-18H2,(H,26,29).
What are the key properties of N-[4-(4-phenylpiperazin-1-yl)butyl]quinoline-6-carboxamide?
N-[4-(4-phenylpiperazin-1-yl)butyl]quinoline-6-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-phenylpiperazin-1-yl)butyl]quinoline-6-carboxamide is sourced from PubChem (CID 24769156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).