8-bromo-2-methoxy-1,5-naphthyridine;2-methoxy-8-phenyl-1,5-naphthyridine;phenylboronic acid

C30H26BBrN4O4 — CID 159887138

IUPAC8-bromo-2-methoxy-1,5-naphthyridine;2-methoxy-8-phenyl-1,5-naphthyridine;phenylboronic acid
SMILESCOc1ccc2nccc(-c3ccccc3)c2n1.COc1ccc2nccc(Br)c2n1.OB(O)c1ccccc1
InChIInChI=1S/C15H12N2O.C9H7BrN2O.C6H7BO2/c1-18-14-8-7-13-15(17-14)12(9-10-16-13)11-5-3-2-4-6-11;1-13-8-3-2-7-9(12-8)6(10)4-5-11-7;8-7(9)6-4-2-1-3-5-6/h2-10H,1H3;2-5H,1H3;1-5,8-9H
InChIKeyNUGXQGDWSYDQTP-UHFFFAOYSA-N
MW597.28 g/mol
LogP5.07
Rot. Bonds4

About 8-bromo-2-methoxy-1,5-naphthyridine;2-methoxy-8-phenyl-1,5-naphthyridine;phenylboronic acid

8-bromo-2-methoxy-1,5-naphthyridine;2-methoxy-8-phenyl-1,5-naphthyridine;phenylboronic acid (PubChem CID 159887138) has the molecular formula C30H26BBrN4O4 and a molecular weight of 597.28 g/mol. Its IUPAC name is 8-bromo-2-methoxy-1,5-naphthyridine;2-methoxy-8-phenyl-1,5-naphthyridine;phenylboronic acid.

Molecular Properties

Compound Name8-bromo-2-methoxy-1,5-naphthyridine;2-methoxy-8-phenyl-1,5-naphthyridine;phenylboronic acid
PubChem CID159887138
Molecular FormulaC30H26BBrN4O4
Molecular Weight597.28 g/mol
Exact Mass596.12
IUPAC Name8-bromo-2-methoxy-1,5-naphthyridine;2-methoxy-8-phenyl-1,5-naphthyridine;phenylboronic acid
SMILESCOc1ccc2nccc(-c3ccccc3)c2n1.COc1ccc2nccc(Br)c2n1.OB(O)c1ccccc1
InChIInChI=1S/C15H12N2O.C9H7BrN2O.C6H7BO2/c1-18-14-8-7-13-15(17-14)12(9-10-16-13)11-5-3-2-4-6-11;1-13-8-3-2-7-9(12-8)6(10)4-5-11-7;8-7(9)6-4-2-1-3-5-6/h2-10H,1H3;2-5H,1H3;1-5,8-9H
InChIKeyNUGXQGDWSYDQTP-UHFFFAOYSA-N
XLogP5.07
TPSA110.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.28
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 8-bromo-2-methoxy-1,5-naphthyridine;2-methoxy-8-phenyl-1,5-naphthyridine;phenylboronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 154685081
2-(3-Methoxyphenyl)-4-phenyl-1,5-naphthyridine
CID 145954110
N-[(4-bromo-2,5-difluorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 164620156
N-[(4-bromo-3-fluorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 164625157
N-[(4-bromo-3,5-difluorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 164625382
N-[(4-bromo-2,3-difluorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 164625458
2-(5-Bromo-2-pyridinyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline
CID 73347282
3-(4-Bromophenyl)-1-(4-methoxyphenyl)benzo[f][1,7]naphthyridine
CID 132849963
N,N-bis[(2-methoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine
CID 162650755
7-Fluoro-2-methoxy-8-[2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridine
CID 170737307
7-fluoro-2-methoxy-8-[2-[4-[(E)-2-(4-methylphenyl)ethenyl]piperidin-1-yl]ethyl]-1,5-naphthyridine
CID 177644055
7-fluoro-2-methoxy-8-[2-[4-[(Z)-2-(4-methylphenyl)ethenyl]piperidin-1-yl]ethyl]-1,5-naphthyridine
CID 177645067

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-methoxy-1,5-naphthyridine;2-methoxy-8-phenyl-1,5-naphthyridine;phenylboronic acid?
The IUPAC name of 8-bromo-2-methoxy-1,5-naphthyridine;2-methoxy-8-phenyl-1,5-naphthyridine;phenylboronic acid (CID 159887138) is 8-bromo-2-methoxy-1,5-naphthyridine;2-methoxy-8-phenyl-1,5-naphthyridine;phenylboronic acid.
What is the SMILES notation for 8-bromo-2-methoxy-1,5-naphthyridine;2-methoxy-8-phenyl-1,5-naphthyridine;phenylboronic acid?
The canonical SMILES for 8-bromo-2-methoxy-1,5-naphthyridine;2-methoxy-8-phenyl-1,5-naphthyridine;phenylboronic acid is COc1ccc2nccc(-c3ccccc3)c2n1.COc1ccc2nccc(Br)c2n1.OB(O)c1ccccc1.
What is the InChIKey of 8-bromo-2-methoxy-1,5-naphthyridine;2-methoxy-8-phenyl-1,5-naphthyridine;phenylboronic acid?
The InChIKey is NUGXQGDWSYDQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O.C9H7BrN2O.C6H7BO2/c1-18-14-8-7-13-15(17-14)12(9-10-16-13)11-5-3-2-4-6-11;1-13-8-3-2-7-9(12-8)6(10)4-5-11-7;8-7(9)6-4-2-1-3-5-6/h2-10H,1H3;2-5H,1H3;1-5,8-9H.
What are the key properties of 8-bromo-2-methoxy-1,5-naphthyridine;2-methoxy-8-phenyl-1,5-naphthyridine;phenylboronic acid?
8-bromo-2-methoxy-1,5-naphthyridine;2-methoxy-8-phenyl-1,5-naphthyridine;phenylboronic acid has a molecular weight of 597.28 g/mol, XLogP of 5.07, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-methoxy-1,5-naphthyridine;2-methoxy-8-phenyl-1,5-naphthyridine;phenylboronic acid is sourced from PubChem (CID 159887138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).