2-(5-bromo-2-pyridinyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline

C25H23BrN4O — CID 73347282

IUPAC2-(5-bromo-2-pyridinyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline
SMILESCOc1ccc(N2CCN(c3cc(-c4ccc(Br)cn4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C25H23BrN4O/c1-31-20-9-7-19(8-10-20)29-12-14-30(15-13-29)25-16-24(23-11-6-18(26)17-27-23)28-22-5-3-2-4-21(22)25/h2-11,16-17H,12-15H2,1H3
InChIKeyGOCWMLHCVCWLPK-UHFFFAOYSA-N
MW475.39 g/mol
LogP5.39
Rot. Bonds4

About 2-(5-bromo-2-pyridinyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline

2-(5-bromo-2-pyridinyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline (PubChem CID 73347282) has the molecular formula C25H23BrN4O and a molecular weight of 475.39 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline
PubChem CID73347282
Molecular FormulaC25H23BrN4O
Molecular Weight475.39 g/mol
Exact Mass474.11
IUPAC Name2-(5-bromo-2-pyridinyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline
SMILESCOc1ccc(N2CCN(c3cc(-c4ccc(Br)cn4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C25H23BrN4O/c1-31-20-9-7-19(8-10-20)29-12-14-30(15-13-29)25-16-24(23-11-6-18(26)17-27-23)28-22-5-3-2-4-21(22)25/h2-11,16-17H,12-15H2,1H3
InChIKeyGOCWMLHCVCWLPK-UHFFFAOYSA-N
XLogP5.39
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.39
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinoline
CID 45051409
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinoline
CID 4884632
6-bromo-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinazoline
CID 87020711
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide
CID 98401545
2-pyridin-2-yl-4-pyrrolidin-1-ylquinoline;hydrate
CID 51057895
7-methoxy-2-phenyl-4-piperazin-1-ylquinoline
CID 121237208
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylquinazolin-4-amine;hydrochloride
CID 52995635
4,6-di(piperidin-1-yl)-2-pyridin-2-ylquinoline
CID 91938128
N-(5-bromo-2-pyridinyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 6467505
4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)quinazoline
CID 155805514
[4-(4-methoxyphenyl)piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 18192931
5-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazin-2-amine
CID 80651957

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline (CID 73347282) is 2-(5-bromo-2-pyridinyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline is COc1ccc(N2CCN(c3cc(-c4ccc(Br)cn4)nc4ccccc34)CC2)cc1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline?
The InChIKey is GOCWMLHCVCWLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23BrN4O/c1-31-20-9-7-19(8-10-20)29-12-14-30(15-13-29)25-16-24(23-11-6-18(26)17-27-23)28-22-5-3-2-4-21(22)25/h2-11,16-17H,12-15H2,1H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline?
2-(5-bromo-2-pyridinyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline has a molecular weight of 475.39 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline is sourced from PubChem (CID 73347282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).