(5-bromo-3-pyridinyl)-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone

C26H24BrN5O — CID 46093616

IUPAC(5-bromo-3-pyridinyl)-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone
SMILESCc1cc2nc(-c3ccccc3)c(N3CCN(C(=O)c4cncc(Br)c4)CC3)nc2cc1C
InChIInChI=1S/C26H24BrN5O/c1-17-12-22-23(13-18(17)2)30-25(24(29-22)19-6-4-3-5-7-19)31-8-10-32(11-9-31)26(33)20-14-21(27)16-28-15-20/h3-7,12-16H,8-11H2,1-2H3
InChIKeyOWJXHGKKYQMMFN-UHFFFAOYSA-N
MW502.42 g/mol
LogP5.03
Rot. Bonds3

About (5-bromo-3-pyridinyl)-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone

(5-bromo-3-pyridinyl)-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone (PubChem CID 46093616) has the molecular formula C26H24BrN5O and a molecular weight of 502.42 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone
PubChem CID46093616
Molecular FormulaC26H24BrN5O
Molecular Weight502.42 g/mol
Exact Mass501.12
IUPAC Name(5-bromo-3-pyridinyl)-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone
SMILESCc1cc2nc(-c3ccccc3)c(N3CCN(C(=O)c4cncc(Br)c4)CC3)nc2cc1C
InChIInChI=1S/C26H24BrN5O/c1-17-12-22-23(13-18(17)2)30-25(24(29-22)19-6-4-3-5-7-19)31-8-10-32(11-9-31)26(33)20-14-21(27)16-28-15-20/h3-7,12-16H,8-11H2,1-2H3
InChIKeyOWJXHGKKYQMMFN-UHFFFAOYSA-N
XLogP5.03
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.42
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-bromo-3-pyridinyl)-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

5-Bromo-N-(4-methyl-2-{[3-(trifluoromethyl)phenyl]amino}quinolin-6-YL)pyridine-3-carboxamide
CID 16021375
5-(3,5-dimethylphenyl)-N-methyl-2-pyridin-3-yl-N-(quinoxalin-6-ylmethyl)pyridine-3-carboxamide
CID 25060120
N-[4-isopropyl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-2-methyl-pyridine-3-carboxamide
CID 53311470
N-[4-isopropyl-2-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]phenyl]pyridine-3-carboxamide
CID 53311560
2-amino-N-[4-isopropyl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 53311726
Piperidin-1-yl-(3-pyrimidin-5-ylquinoxalin-6-yl)methanone
CID 135300356
[3-[6-(Dimethylamino)-3-pyridinyl]quinoxalin-6-yl]-piperidin-1-ylmethanone
CID 135300407
[3-[6-(Methylamino)-3-pyridinyl]quinoxalin-6-yl]-piperidin-1-ylmethanone
CID 135300439
[3-(6-Amino-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone
CID 146476165
5-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]nicotinamide
CID 3239170
1-{[1-(4-Ethylpiperazin-1-yl)isoquinolin-4-yl]carbonyl}-1,2,3,4-tetrahydroquinoline
CID 3244331
5-bromo-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)nicotinamide
CID 3475535

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (5-bromo-3-pyridinyl)-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone (CID 46093616) is (5-bromo-3-pyridinyl)-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-bromo-3-pyridinyl)-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (5-bromo-3-pyridinyl)-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone is Cc1cc2nc(-c3ccccc3)c(N3CCN(C(=O)c4cncc(Br)c4)CC3)nc2cc1C.
What is the InChIKey of (5-bromo-3-pyridinyl)-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone?
The InChIKey is OWJXHGKKYQMMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24BrN5O/c1-17-12-22-23(13-18(17)2)30-25(24(29-22)19-6-4-3-5-7-19)31-8-10-32(11-9-31)26(33)20-14-21(27)16-28-15-20/h3-7,12-16H,8-11H2,1-2H3.
What are the key properties of (5-bromo-3-pyridinyl)-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone?
(5-bromo-3-pyridinyl)-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone has a molecular weight of 502.42 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 46093616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).