N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C21H21FN4O3S — CID 100762194

IUPACN-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCn1c(C2CC2)nc2cc(CNS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)ccc21
InChIInChI=1S/C21H21FN4O3S/c1-26-18-6-2-12(8-17(18)25-21(26)13-3-4-13)11-23-30(28,29)19-9-14-5-7-20(27)24-16(14)10-15(19)22/h2,6,8-10,13,23H,3-5,7,11H2,1H3,(H,24,27)
InChIKeyLPKXIJOZDBLERQ-UHFFFAOYSA-N
MW428.49 g/mol
LogP2.95
Rot. Bonds5

About N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 100762194) has the molecular formula C21H21FN4O3S and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID100762194
Molecular FormulaC21H21FN4O3S
Molecular Weight428.49 g/mol
Exact Mass428.13
IUPAC NameN-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCn1c(C2CC2)nc2cc(CNS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)ccc21
InChIInChI=1S/C21H21FN4O3S/c1-26-18-6-2-12(8-17(18)25-21(26)13-3-4-13)11-23-30(28,29)19-9-14-5-7-20(27)24-16(14)10-15(19)22/h2,6,8-10,13,23H,3-5,7,11H2,1H3,(H,24,27)
InChIKeyLPKXIJOZDBLERQ-UHFFFAOYSA-N
XLogP2.95
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide with MolForge

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Related Compounds

7-fluoro-2-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55905577
N-[(3-chlorophenyl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55874005
2-cyclopropyl-5-[(dimethylsulfamoylamino)methyl]-1-methylbenzimidazole
CID 110786179
N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]piperidine-1-sulfonamide
CID 100762191
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55871143
2,4-dimethyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzenesulfonamide
CID 110781617
1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylpropan-2-amine
CID 82497493
N-[2-(4-chlorophenyl)sulfanylethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55903441
1-benzyl-3-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]urea
CID 110776249
7-fluoro-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 146143545
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 47213624
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55872711

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 100762194) is N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is Cn1c(C2CC2)nc2cc(CNS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)ccc21.
What is the InChIKey of N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is LPKXIJOZDBLERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3S/c1-26-18-6-2-12(8-17(18)25-21(26)13-3-4-13)11-23-30(28,29)19-9-14-5-7-20(27)24-16(14)10-15(19)22/h2,6,8-10,13,23H,3-5,7,11H2,1H3,(H,24,27).
What are the key properties of N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 428.49 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 100762194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).