N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethylquinoline-4-carboxamide

C26H24N4O3 — CID 45166687

IUPACN-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethylquinoline-4-carboxamide
SMILESCOc1ccc(-c2ccc3c(c2)CC(CNC(=O)c2cc(C)nc4ccc(C)cc24)O3)nn1
InChIInChI=1S/C26H24N4O3/c1-15-4-6-23-20(10-15)21(11-16(2)28-23)26(31)27-14-19-13-18-12-17(5-8-24(18)33-19)22-7-9-25(32-3)30-29-22/h4-12,19H,13-14H2,1-3H3,(H,27,31)
InChIKeyRJMIGQRNVMVAGH-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.05
Rot. Bonds5

About N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethylquinoline-4-carboxamide

N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethylquinoline-4-carboxamide (PubChem CID 45166687) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethylquinoline-4-carboxamide
PubChem CID45166687
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC NameN-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethylquinoline-4-carboxamide
SMILESCOc1ccc(-c2ccc3c(c2)CC(CNC(=O)c2cc(C)nc4ccc(C)cc24)O3)nn1
InChIInChI=1S/C26H24N4O3/c1-15-4-6-23-20(10-15)21(11-16(2)28-23)26(31)27-14-19-13-18-12-17(5-8-24(18)33-19)22-7-9-25(32-3)30-29-22/h4-12,19H,13-14H2,1-3H3,(H,27,31)
InChIKeyRJMIGQRNVMVAGH-UHFFFAOYSA-N
XLogP4.05
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2R)-5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 42170101
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 56854792
N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylquinoline-4-carboxamide
CID 45166172
N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethoxypyridine-3-carboxamide
CID 45200400
methyl (2R)-2-[[(2,4-dimethylbenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
CID 92757935
N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methoxypyridine-3-carboxamide
CID 45180649
N-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 46704833
(2R)-N-[[(2R)-5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 31018930
N-[2-(diethylamino)propyl]-2,6-dimethylquinoline-4-carboxamide
CID 55675834
N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2,6-dimethylquinoline-4-carboxamide
CID 94020756
N-(1-methoxypropan-2-yl)-2,6-dimethylquinoline-4-carboxamide
CID 18160978
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2,6-dimethylquinoline-4-carboxamide
CID 56524273

Frequently Asked Questions

What is the IUPAC name of N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethylquinoline-4-carboxamide?
The IUPAC name of N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethylquinoline-4-carboxamide (CID 45166687) is N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethylquinoline-4-carboxamide.
What is the SMILES notation for N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethylquinoline-4-carboxamide?
The canonical SMILES for N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethylquinoline-4-carboxamide is COc1ccc(-c2ccc3c(c2)CC(CNC(=O)c2cc(C)nc4ccc(C)cc24)O3)nn1.
What is the InChIKey of N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethylquinoline-4-carboxamide?
The InChIKey is RJMIGQRNVMVAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-15-4-6-23-20(10-15)21(11-16(2)28-23)26(31)27-14-19-13-18-12-17(5-8-24(18)33-19)22-7-9-25(32-3)30-29-22/h4-12,19H,13-14H2,1-3H3,(H,27,31).
What are the key properties of N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethylquinoline-4-carboxamide?
N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethylquinoline-4-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 45166687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).