N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C21H22N4O4S — CID 27690985

IUPACN-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCOc1cccc([C@@H](NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2nccn2C)c1
InChIInChI=1S/C21H22N4O4S/c1-25-11-10-22-21(25)20(15-4-3-5-16(12-15)29-2)24-30(27,28)17-7-8-18-14(13-17)6-9-19(26)23-18/h3-5,7-8,10-13,20,24H,6,9H2,1-2H3,(H,23,26)/t20-/m1/s1
InChIKeyNLFXYHWHXLKVQT-HXUWFJFHSA-N
MW426.50 g/mol
LogP2.38
Rot. Bonds6

About N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 27690985) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID27690985
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC NameN-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCOc1cccc([C@@H](NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2nccn2C)c1
InChIInChI=1S/C21H22N4O4S/c1-25-11-10-22-21(25)20(15-4-3-5-16(12-15)29-2)24-30(27,28)17-7-8-18-14(13-17)6-9-19(26)23-18/h3-5,7-8,10-13,20,24H,6,9H2,1-2H3,(H,23,26)/t20-/m1/s1
InChIKeyNLFXYHWHXLKVQT-HXUWFJFHSA-N
XLogP2.38
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-diethoxy-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 24541270
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide
CID 51274932
2,6-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 24541241
4-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide
CID 46653959
N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-fluorobenzenesulfonamide
CID 40797952
N-(3-methoxyphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
CID 20864411
2,5-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 24541230
N-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]-4-methylphenyl]acetamide
CID 55456688
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 55627297
3,4-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide
CID 17397983
7-fluoro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42895932
1-acetyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 27690770

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 27690985) is N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is COc1cccc([C@@H](NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2nccn2C)c1.
What is the InChIKey of N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is NLFXYHWHXLKVQT-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H22N4O4S/c1-25-11-10-22-21(25)20(15-4-3-5-16(12-15)29-2)24-30(27,28)17-7-8-18-14(13-17)6-9-19(26)23-18/h3-5,7-8,10-13,20,24H,6,9H2,1-2H3,(H,23,26)/t20-/m1/s1.
What are the key properties of N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 426.50 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 27690985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).