N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinoline-4-carboxamide

C24H28N4O — CID 166205908

IUPACN-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinoline-4-carboxamide
SMILESCN1CCN(CCCNC(=O)c2ccnc3ccccc23)C(c2ccccc2)C1
InChIInChI=1S/C24H28N4O/c1-27-16-17-28(23(18-27)19-8-3-2-4-9-19)15-7-13-26-24(29)21-12-14-25-22-11-6-5-10-20(21)22/h2-6,8-12,14,23H,7,13,15-18H2,1H3,(H,26,29)
InChIKeyAQRPAXRYYNZKRG-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.34
Rot. Bonds6

About N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinoline-4-carboxamide

N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinoline-4-carboxamide (PubChem CID 166205908) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinoline-4-carboxamide
PubChem CID166205908
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinoline-4-carboxamide
SMILESCN1CCN(CCCNC(=O)c2ccnc3ccccc23)C(c2ccccc2)C1
InChIInChI=1S/C24H28N4O/c1-27-16-17-28(23(18-27)19-8-3-2-4-9-19)15-7-13-26-24(29)21-12-14-25-22-11-6-5-10-20(21)22/h2-6,8-12,14,23H,7,13,15-18H2,1H3,(H,26,29)
InChIKeyAQRPAXRYYNZKRG-UHFFFAOYSA-N
XLogP3.34
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.34
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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Related Compounds

2-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 55620653
N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 99844784
2-chloro-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-5-methylsulfanylbenzamide
CID 42957275
8-bromo-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 166381397
N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 55939655
2-(2-ethylbenzimidazol-1-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide
CID 55620613
2-methyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]furan-3-carboxamide
CID 47028501
N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]-3-phenylpropanamide
CID 37295921
2-(2-methoxyphenyl)-N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]acetamide
CID 37295525
N-(3-iodopropyl)quinoline-4-carboxamide
CID 114504474
3-bromo-4-ethoxy-5-methoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]benzamide
CID 55620797
8-bromo-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinolin-4-amine
CID 166321865

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinoline-4-carboxamide?
The IUPAC name of N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinoline-4-carboxamide (CID 166205908) is N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinoline-4-carboxamide?
The canonical SMILES for N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinoline-4-carboxamide is CN1CCN(CCCNC(=O)c2ccnc3ccccc23)C(c2ccccc2)C1.
What is the InChIKey of N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinoline-4-carboxamide?
The InChIKey is AQRPAXRYYNZKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-27-16-17-28(23(18-27)19-8-3-2-4-9-19)15-7-13-26-24(29)21-12-14-25-22-11-6-5-10-20(21)22/h2-6,8-12,14,23H,7,13,15-18H2,1H3,(H,26,29).
What are the key properties of N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinoline-4-carboxamide?
N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinoline-4-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinoline-4-carboxamide is sourced from PubChem (CID 166205908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).