1-[(6-bromo-2-pyridinyl)methyl]-3-(4-methoxy-3-methylbenzoyl)-1,8-naphthyridin-4-one;1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

C40H33Br2N7O6 — CID 160891570

IUPAC1-[(6-bromo-2-pyridinyl)methyl]-3-(4-methoxy-3-methylbenzoyl)-1,8-naphthyridin-4-one;1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCON(C)C(=O)c1cn(Cc2cccc(Br)n2)c2ncccc2c1=O.COc1ccc(C(=O)c2cn(Cc3cccc(Br)n3)c3ncccc3c2=O)cc1C
InChIInChI=1S/C23H18BrN3O3.C17H15BrN4O3/c1-14-11-15(8-9-19(14)30-2)21(28)18-13-27(12-16-5-3-7-20(24)26-16)23-17(22(18)29)6-4-10-25-23;1-21(25-2)17(24)13-10-22(9-11-5-3-7-14(18)20-11)16-12(15(13)23)6-4-8-19-16/h3-11,13H,12H2,1-2H3;3-8,10H,9H2,1-2H3
InChIKeySOILEILHZUPMPF-UHFFFAOYSA-N
MW867.55 g/mol
LogP6.39
Rot. Bonds9

About 1-[(6-bromo-2-pyridinyl)methyl]-3-(4-methoxy-3-methylbenzoyl)-1,8-naphthyridin-4-one;1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

1-[(6-bromo-2-pyridinyl)methyl]-3-(4-methoxy-3-methylbenzoyl)-1,8-naphthyridin-4-one;1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 160891570) has the molecular formula C40H33Br2N7O6 and a molecular weight of 867.55 g/mol. Its IUPAC name is 1-[(6-bromo-2-pyridinyl)methyl]-3-(4-methoxy-3-methylbenzoyl)-1,8-naphthyridin-4-one;1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(6-bromo-2-pyridinyl)methyl]-3-(4-methoxy-3-methylbenzoyl)-1,8-naphthyridin-4-one;1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID160891570
Molecular FormulaC40H33Br2N7O6
Molecular Weight867.55 g/mol
Exact Mass865.09
IUPAC Name1-[(6-bromo-2-pyridinyl)methyl]-3-(4-methoxy-3-methylbenzoyl)-1,8-naphthyridin-4-one;1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCON(C)C(=O)c1cn(Cc2cccc(Br)n2)c2ncccc2c1=O.COc1ccc(C(=O)c2cn(Cc3cccc(Br)n3)c3ncccc3c2=O)cc1C
InChIInChI=1S/C23H18BrN3O3.C17H15BrN4O3/c1-14-11-15(8-9-19(14)30-2)21(28)18-13-27(12-16-5-3-7-20(24)26-16)23-17(22(18)29)6-4-10-25-23;1-21(25-2)17(24)13-10-22(9-11-5-3-7-14(18)20-11)16-12(15(13)23)6-4-8-19-16/h3-11,13H,12H2,1-2H3;3-8,10H,9H2,1-2H3
InChIKeySOILEILHZUPMPF-UHFFFAOYSA-N
XLogP6.39
TPSA151.40 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500867.55
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(6-bromo-2-pyridinyl)methyl]-3-(4-methoxy-3-methylbenzoyl)-1,8-naphthyridin-4-one;1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide with MolForge

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Related Compounds

3-(4-Methoxy-3-methyl-benzoyl)-1-(6-trifluoromethyl-pyridin-2-ylmethyl)-1H-[1,8]naphthyridin-4-one
CID 57754685
1-[(6-Bromo-2-pyridinyl)methyl]-3-(3-fluoro-4-methoxybenzoyl)-1,8-naphthyridin-4-one
CID 57754732
1-[(6-bromo-2-pyridinyl)methyl]-3-(3-fluoro-4-methoxybenzoyl)-7-(trifluoromethyl)-1,8-naphthyridin-4-one;1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N-methyl-4-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide;ethyl 1-[(6-bromo-2-pyridinyl)methyl]-4-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 157298290
2-bromo-5-[4-(trifluoromethoxy)phenyl]pyridine;N-methoxy-N-methylpyrimidine-5-carboxamide;pyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methanone
CID 161648543
3-(4-methoxy-3-methylbenzoyl)-1H-1,8-naphthyridin-4-one;3-(4-methoxy-3-methylbenzoyl)-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridin-4-one
CID 162263303
1-[(6-Bromo-2-pyridinyl)methyl]-3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1,8-naphthyridin-4-one
CID 57754509
1-(6-Bromo-pyridin-2-ylmethyl)-3-(4-methoxy-3-methyl-benzoyl)-7-methyl-1H-[1,8]naphthyridin-4-one
CID 57754546
1-(6-Bromo-pyridin-2-ylmethyl)-3-(3,4-dimethoxy-benzoyl)-1H-[1,8]naphthyridin-4-one
CID 57754634
6-[3-(4-Methoxy-3-methyl-benzoyl)-4-oxo-4H-[1,8]naphthyridin-1-ylmethyl]-pyridine-2-carbonitrile
CID 57754675
1-(6-Bromo-pyridin-2-ylmethyl)-3-(4-methoxy-3-methyl-benzoyl)-1H-[1,8]naphthyridin-4-one
CID 57754694
1-(3-Bromo-benzyl)-3-(4-methoxy-3-methyl-benzoyl)-1H-[1,8]naphthyridin-4-one
CID 57754747
1-[(6-Bromo-2-pyridinyl)methyl]-3-(4-methoxybenzoyl)-1,8-naphthyridin-4-one
CID 57754775

Frequently Asked Questions

What is the IUPAC name of 1-[(6-bromo-2-pyridinyl)methyl]-3-(4-methoxy-3-methylbenzoyl)-1,8-naphthyridin-4-one;1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-[(6-bromo-2-pyridinyl)methyl]-3-(4-methoxy-3-methylbenzoyl)-1,8-naphthyridin-4-one;1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 160891570) is 1-[(6-bromo-2-pyridinyl)methyl]-3-(4-methoxy-3-methylbenzoyl)-1,8-naphthyridin-4-one;1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[(6-bromo-2-pyridinyl)methyl]-3-(4-methoxy-3-methylbenzoyl)-1,8-naphthyridin-4-one;1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[(6-bromo-2-pyridinyl)methyl]-3-(4-methoxy-3-methylbenzoyl)-1,8-naphthyridin-4-one;1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is CON(C)C(=O)c1cn(Cc2cccc(Br)n2)c2ncccc2c1=O.COc1ccc(C(=O)c2cn(Cc3cccc(Br)n3)c3ncccc3c2=O)cc1C.
What is the InChIKey of 1-[(6-bromo-2-pyridinyl)methyl]-3-(4-methoxy-3-methylbenzoyl)-1,8-naphthyridin-4-one;1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is SOILEILHZUPMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN3O3.C17H15BrN4O3/c1-14-11-15(8-9-19(14)30-2)21(28)18-13-27(12-16-5-3-7-20(24)26-16)23-17(22(18)29)6-4-10-25-23;1-21(25-2)17(24)13-10-22(9-11-5-3-7-14(18)20-11)16-12(15(13)23)6-4-8-19-16/h3-11,13H,12H2,1-2H3;3-8,10H,9H2,1-2H3.
What are the key properties of 1-[(6-bromo-2-pyridinyl)methyl]-3-(4-methoxy-3-methylbenzoyl)-1,8-naphthyridin-4-one;1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
1-[(6-bromo-2-pyridinyl)methyl]-3-(4-methoxy-3-methylbenzoyl)-1,8-naphthyridin-4-one;1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 867.55 g/mol, XLogP of 6.39, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-bromo-2-pyridinyl)methyl]-3-(4-methoxy-3-methylbenzoyl)-1,8-naphthyridin-4-one;1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 160891570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).