N-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-5-yl]-2-methylquinolin-4-amine

C23H18N4O2S — CID 102164331

IUPACN-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-5-yl]-2-methylquinolin-4-amine
SMILESCc1cc(Nc2ccc3c(ccn3S(=O)(=O)c3ccccc3)n2)c2ccccc2n1
InChIInChI=1S/C23H18N4O2S/c1-16-15-21(18-9-5-6-10-19(18)24-16)26-23-12-11-22-20(25-23)13-14-27(22)30(28,29)17-7-3-2-4-8-17/h2-15H,1H3,(H,24,25,26)
InChIKeyWHOSHJJGSASDIX-UHFFFAOYSA-N
MW414.49 g/mol
LogP4.87
Rot. Bonds4

About N-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-5-yl]-2-methylquinolin-4-amine

N-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-5-yl]-2-methylquinolin-4-amine (PubChem CID 102164331) has the molecular formula C23H18N4O2S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-5-yl]-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-5-yl]-2-methylquinolin-4-amine
PubChem CID102164331
Molecular FormulaC23H18N4O2S
Molecular Weight414.49 g/mol
Exact Mass414.12
IUPAC NameN-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-5-yl]-2-methylquinolin-4-amine
SMILESCc1cc(Nc2ccc3c(ccn3S(=O)(=O)c3ccccc3)n2)c2ccccc2n1
InChIInChI=1S/C23H18N4O2S/c1-16-15-21(18-9-5-6-10-19(18)24-16)26-23-12-11-22-20(25-23)13-14-27(22)30(28,29)17-7-3-2-4-8-17/h2-15H,1H3,(H,24,25,26)
InChIKeyWHOSHJJGSASDIX-UHFFFAOYSA-N
XLogP4.87
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(benzenesulfonyl)-5-chloropyrrolo[3,2-b]pyridine
CID 18176436
methyl 1-(benzenesulfonyl)pyrrolo[3,2-b]pyridine-5-carboxylate
CID 74890518
N-(5-bromo-2-pyridinyl)-2-methylquinolin-4-amine
CID 61375482
N'-(benzenesulfonyl)-N-(2-methylquinolin-4-yl)benzenecarboximidamide
CID 4564027
1-(benzenesulfonyl)-3-(2-methylquinolin-4-yl)urea
CID 21177304
4-[(2-methylquinolin-4-yl)amino]phenol
CID 939157
2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine
CID 54934838
N-(2-methylquinolin-4-yl)azepane-1-carboxamide
CID 115882563
1-tert-butyl-2-(2-methylquinolin-4-yl)hydrazine
CID 66835446
1-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea
CID 11465185
1-(benzenesulfonyl)-5-(4-nitrophenyl)pyrrolo[3,2-b]pyridine
CID 102164328
1-(4-tert-butylphenyl)sulfonyl-5-chloropyrrolo[3,2-b]pyridine
CID 141163503

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-5-yl]-2-methylquinolin-4-amine?
The IUPAC name of N-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-5-yl]-2-methylquinolin-4-amine (CID 102164331) is N-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-5-yl]-2-methylquinolin-4-amine.
What is the SMILES notation for N-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-5-yl]-2-methylquinolin-4-amine?
The canonical SMILES for N-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-5-yl]-2-methylquinolin-4-amine is Cc1cc(Nc2ccc3c(ccn3S(=O)(=O)c3ccccc3)n2)c2ccccc2n1.
What is the InChIKey of N-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-5-yl]-2-methylquinolin-4-amine?
The InChIKey is WHOSHJJGSASDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2S/c1-16-15-21(18-9-5-6-10-19(18)24-16)26-23-12-11-22-20(25-23)13-14-27(22)30(28,29)17-7-3-2-4-8-17/h2-15H,1H3,(H,24,25,26).
What are the key properties of N-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-5-yl]-2-methylquinolin-4-amine?
N-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-5-yl]-2-methylquinolin-4-amine has a molecular weight of 414.49 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-5-yl]-2-methylquinolin-4-amine is sourced from PubChem (CID 102164331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).