N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C23H20N6O4S — CID 122313308

IUPACN-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCc1nc(Oc2ccc(NS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)cc2)cc(-n2ccnc2)n1
InChIInChI=1S/C23H20N6O4S/c1-15-25-21(29-11-10-24-14-29)13-23(26-15)33-18-5-3-17(4-6-18)28-34(31,32)19-7-8-20-16(12-19)2-9-22(30)27-20/h3-8,10-14,28H,2,9H2,1H3,(H,27,30)
InChIKeyQUMBFVCACIARDF-UHFFFAOYSA-N
MW476.52 g/mol
LogP3.45
Rot. Bonds6

About N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 122313308) has the molecular formula C23H20N6O4S and a molecular weight of 476.52 g/mol. Its IUPAC name is N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID122313308
Molecular FormulaC23H20N6O4S
Molecular Weight476.52 g/mol
Exact Mass476.13
IUPAC NameN-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCc1nc(Oc2ccc(NS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)cc2)cc(-n2ccnc2)n1
InChIInChI=1S/C23H20N6O4S/c1-15-25-21(29-11-10-24-14-29)13-23(26-15)33-18-5-3-17(4-6-18)28-34(31,32)19-7-8-20-16(12-19)2-9-22(30)27-20/h3-8,10-14,28H,2,9H2,1H3,(H,27,30)
InChIKeyQUMBFVCACIARDF-UHFFFAOYSA-N
XLogP3.45
TPSA128.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.52
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-ethoxy-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122313083
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-4-methyl-3,5-dinitrobenzenesulfonamide
CID 122313345
1-ethyl-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-methylimidazole-4-sulfonamide
CID 122313305
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 122303890
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]butane-1-sulfonamide
CID 122313112
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122312969
5-fluoro-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-methoxybenzenesulfonamide
CID 122313251
N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3647907
N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309298
N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 122309507
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]cyclopentanecarboxamide
CID 122312977
N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122306438

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 122313308) is N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is Cc1nc(Oc2ccc(NS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)cc2)cc(-n2ccnc2)n1.
What is the InChIKey of N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is QUMBFVCACIARDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O4S/c1-15-25-21(29-11-10-24-14-29)13-23(26-15)33-18-5-3-17(4-6-18)28-34(31,32)19-7-8-20-16(12-19)2-9-22(30)27-20/h3-8,10-14,28H,2,9H2,1H3,(H,27,30).
What are the key properties of N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 476.52 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 122313308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).