4-methyl-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzenesulfonamide

C19H19N3O2S — CID 4906762

IUPAC4-methyl-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN2CCc3cc4ccc(C)cc4nc32)cc1
InChIInChI=1S/C19H19N3O2S/c1-13-4-7-17(8-5-13)25(23,24)21-22-10-9-16-12-15-6-3-14(2)11-18(15)20-19(16)22/h3-8,11-12,21H,9-10H2,1-2H3
InChIKeySYBOJCDMKBOTSQ-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.11
Rot. Bonds3

About 4-methyl-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzenesulfonamide

4-methyl-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzenesulfonamide (PubChem CID 4906762) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 4-methyl-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzenesulfonamide
PubChem CID4906762
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name4-methyl-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN2CCc3cc4ccc(C)cc4nc32)cc1
InChIInChI=1S/C19H19N3O2S/c1-13-4-7-17(8-5-13)25(23,24)21-22-10-9-16-12-15-6-3-14(2)11-18(15)20-19(16)22/h3-8,11-12,21H,9-10H2,1-2H3
InChIKeySYBOJCDMKBOTSQ-UHFFFAOYSA-N
XLogP3.11
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)amino]-5-oxopentanoic acid
CID 4908053
7-methyl-1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 20996313
1-(1,3-benzodioxol-5-ylsulfonyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 20996322
1-(2,4-dimethylphenyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 18846763
4-methyl-N'-[4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzoyl]benzohydrazide
CID 18859092
7-methyl-1-(2-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinoline
CID 18846762
2-methyl-1-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)propan-1-one
CID 20996268
1-(4-fluorophenyl)sulfonyl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 20996246
(4-methoxyphenyl)-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone
CID 20996288
N-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-nitrobenzamide
CID 18859307
4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 18859133
4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-pyridin-2-ylbenzamide
CID 18859131

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzenesulfonamide (CID 4906762) is 4-methyl-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NN2CCc3cc4ccc(C)cc4nc32)cc1.
What is the InChIKey of 4-methyl-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzenesulfonamide?
The InChIKey is SYBOJCDMKBOTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-13-4-7-17(8-5-13)25(23,24)21-22-10-9-16-12-15-6-3-14(2)11-18(15)20-19(16)22/h3-8,11-12,21H,9-10H2,1-2H3.
What are the key properties of 4-methyl-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzenesulfonamide?
4-methyl-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzenesulfonamide has a molecular weight of 353.45 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzenesulfonamide is sourced from PubChem (CID 4906762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).