N-[(4-methoxyphenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1H-quinoline-6-sulfonamide

C21H18N4O4S — CID 175839914

IUPACN-[(4-methoxyphenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1H-quinoline-6-sulfonamide
SMILESCOc1ccc(CN(c2ncccn2)S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1
InChIInChI=1S/C21H18N4O4S/c1-29-17-6-3-15(4-7-17)14-25(21-22-11-2-12-23-21)30(27,28)18-8-9-19-16(13-18)5-10-20(26)24-19/h2-13H,14H2,1H3,(H,24,26)
InChIKeyVWHCMOMSULUKCD-UHFFFAOYSA-N
MW422.47 g/mol
LogP2.72
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1H-quinoline-6-sulfonamide

N-[(4-methoxyphenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1H-quinoline-6-sulfonamide (PubChem CID 175839914) has the molecular formula C21H18N4O4S and a molecular weight of 422.47 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1H-quinoline-6-sulfonamide
PubChem CID175839914
Molecular FormulaC21H18N4O4S
Molecular Weight422.47 g/mol
Exact Mass422.10
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1H-quinoline-6-sulfonamide
SMILESCOc1ccc(CN(c2ncccn2)S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1
InChIInChI=1S/C21H18N4O4S/c1-29-17-6-3-15(4-7-17)14-25(21-22-11-2-12-23-21)30(27,28)18-8-9-19-16(13-18)5-10-20(26)24-19/h2-13H,14H2,1H3,(H,24,26)
InChIKeyVWHCMOMSULUKCD-UHFFFAOYSA-N
XLogP2.72
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-N-methyl-2-oxo-1H-quinoline-6-sulfonamide
CID 22548596
6-[(4-methoxyphenyl)methyl]-1H-quinolin-2-one
CID 70082190
4-fluoro-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 42841605
6-(4-pyridin-2-ylsulfonylbutoxy)-1H-quinolin-2-one
CID 22901634
N-benzyl-N-(4-methoxyphenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 56587385
2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 20903544
1-(4-bromo-5-fluoro-2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-oxo-N-pyrimidin-2-ylquinoline-6-sulfonamide;N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;(2,3,4,5,6-pentafluorophenyl) 1-(4-bromo-5-fluoro-2-methoxyphenyl)-2-oxoquinoline-6-sulfonate
CID 163906250
6-[2-(4-methoxyphenyl)-2-oxoethoxy]-1H-quinolin-2-one
CID 121005750
N-[(4-methoxyphenyl)methyl]-N-(1,2-oxazol-3-yl)-4-oxo-3H-quinazoline-7-sulfonamide
CID 137036887
7-ethoxy-1H-quinolin-2-one
CID 123474288
N-(3-bromophenyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 46023029
N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1H-quinoline-6-sulfonamide
CID 22548598

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1H-quinoline-6-sulfonamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1H-quinoline-6-sulfonamide (CID 175839914) is N-[(4-methoxyphenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1H-quinoline-6-sulfonamide is COc1ccc(CN(c2ncccn2)S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1H-quinoline-6-sulfonamide?
The InChIKey is VWHCMOMSULUKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4S/c1-29-17-6-3-15(4-7-17)14-25(21-22-11-2-12-23-21)30(27,28)18-8-9-19-16(13-18)5-10-20(26)24-19/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1H-quinoline-6-sulfonamide?
N-[(4-methoxyphenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1H-quinoline-6-sulfonamide has a molecular weight of 422.47 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 175839914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).