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

C24H27BrN4O2 — CID 166381397

IUPAC8-bromo-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCN1CCN(CCCNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C(c2ccccc2)C1
InChIInChI=1S/C24H27BrN4O2/c1-28-13-14-29(21(16-28)17-7-3-2-4-8-17)12-6-11-26-24(31)19-15-22(30)27-23-18(19)9-5-10-20(23)25/h2-5,7-10,15,21H,6,11-14,16H2,1H3,(H,26,31)(H,27,30)
InChIKeyRJXDFNQUXSRVHP-UHFFFAOYSA-N
MW483.41 g/mol
LogP3.40
Rot. Bonds6

About 8-bromo-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-oxo-1H-quinoline-4-carboxamide

8-bromo-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 166381397) has the molecular formula C24H27BrN4O2 and a molecular weight of 483.41 g/mol. Its IUPAC name is 8-bromo-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name8-bromo-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID166381397
Molecular FormulaC24H27BrN4O2
Molecular Weight483.41 g/mol
Exact Mass482.13
IUPAC Name8-bromo-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCN1CCN(CCCNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C(c2ccccc2)C1
InChIInChI=1S/C24H27BrN4O2/c1-28-13-14-29(21(16-28)17-7-3-2-4-8-17)12-6-11-26-24(31)19-15-22(30)27-23-18(19)9-5-10-20(23)25/h2-5,7-10,15,21H,6,11-14,16H2,1H3,(H,26,31)(H,27,30)
InChIKeyRJXDFNQUXSRVHP-UHFFFAOYSA-N
XLogP3.40
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.41
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinoline-4-carboxamide
CID 166205908
2-chloro-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-5-methylsulfanylbenzamide
CID 42957275
3-bromo-4-ethoxy-5-methoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]benzamide
CID 55620797
N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 99844784
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]-3-phenylpropanamide
CID 37295921
2-(2-methoxyphenyl)-N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]acetamide
CID 37295525
8-bromo-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinolin-4-amine
CID 166321865
4-(methylamino)-N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]-3-nitrobenzamide
CID 37295705
(2R)-N-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propyl]-2-phenylbutanamide
CID 124813932
2-methyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]furan-3-carboxamide
CID 47028501
N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 55939655

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of 8-bromo-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-oxo-1H-quinoline-4-carboxamide (CID 166381397) is 8-bromo-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for 8-bromo-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for 8-bromo-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-oxo-1H-quinoline-4-carboxamide is CN1CCN(CCCNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C(c2ccccc2)C1.
What is the InChIKey of 8-bromo-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is RJXDFNQUXSRVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN4O2/c1-28-13-14-29(21(16-28)17-7-3-2-4-8-17)12-6-11-26-24(31)19-15-22(30)27-23-18(19)9-5-10-20(23)25/h2-5,7-10,15,21H,6,11-14,16H2,1H3,(H,26,31)(H,27,30).
What are the key properties of 8-bromo-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-oxo-1H-quinoline-4-carboxamide?
8-bromo-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 483.41 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 166381397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).