1-(2,4-dimethoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline

C19H18N2O4S — CID 20996204

IUPAC1-(2,4-dimethoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCOc1ccc(S(=O)(=O)N2CCc3cc4ccccc4nc32)c(OC)c1
InChIInChI=1S/C19H18N2O4S/c1-24-15-7-8-18(17(12-15)25-2)26(22,23)21-10-9-14-11-13-5-3-4-6-16(13)20-19(14)21/h3-8,11-12H,9-10H2,1-2H3
InChIKeyKOLLCMCYDYDZJT-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.00
Rot. Bonds4

About 1-(2,4-dimethoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline

1-(2,4-dimethoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline (PubChem CID 20996204) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
PubChem CID20996204
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name1-(2,4-dimethoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCOc1ccc(S(=O)(=O)N2CCc3cc4ccccc4nc32)c(OC)c1
InChIInChI=1S/C19H18N2O4S/c1-24-15-7-8-18(17(12-15)25-2)26(22,23)21-10-9-14-11-13-5-3-4-6-16(13)20-19(14)21/h3-8,11-12H,9-10H2,1-2H3
InChIKeyKOLLCMCYDYDZJT-UHFFFAOYSA-N
XLogP3.00
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenethyl)-3-(phenylsulfonyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2014189
N-(9-ethylcarbazol-3-yl)-2,4-dimethoxybenzenesulfonamide
CID 44432040
1-(4-Methoxy-benzenesulfonyl)-3-[2-(4-methoxy-phenyl)-ethyl]-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 5218300
2-{4-[(4-Methoxyphenyl)sulfonyl]piperazin-1-yl}-4-methylquinoline
CID 17587530
6-[4-(4-Methoxyphenyl)sulfonylpiperazin-1-yl]phenanthridine
CID 129906702
N-[(3,5-dimethoxyphenyl)methyl]-6-methylsulfonylquinolin-2-amine
CID 177648005
N-[1-(4-methoxyphenyl)sulfonyl-3-phenylindol-2-yl]methanesulfonamide
CID 178295754
4-methoxy-N-[1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]benzenesulfonamide
CID 178296464
1-(2-Methoxy-5-methylbenzenesulfonyl)-1H,2H,3H-pyrrolo[2,3-B]quinoline
CID 20996202
1-(3,4-Dimethoxybenzenesulfonyl)-1H,2H,3H-pyrrolo[2,3-B]quinoline
CID 20996203
1-(4-Methoxy-2,5-dimethylbenzenesulfonyl)-1H,2H,3H-pyrrolo[2,3-B]quinoline
CID 20996208
1-(4-Methoxy-2,5-dimethylbenzenesulfonyl)-6-methyl-1H,2H,3H-pyrrolo[2,3-B]quinoline
CID 20996261

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The IUPAC name of 1-(2,4-dimethoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline (CID 20996204) is 1-(2,4-dimethoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline is COc1ccc(S(=O)(=O)N2CCc3cc4ccccc4nc32)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The InChIKey is KOLLCMCYDYDZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-24-15-7-8-18(17(12-15)25-2)26(22,23)21-10-9-14-11-13-5-3-4-6-16(13)20-19(14)21/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
1-(2,4-dimethoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline has a molecular weight of 370.43 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline is sourced from PubChem (CID 20996204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).