N-[3-(methylaminomethyl)-1-pyridin-3-ylsulfinylindol-6-yl]quinolin-6-amine

C24H21N5OS — CID 118000947

IUPACN-[3-(methylaminomethyl)-1-pyridin-3-ylsulfinylindol-6-yl]quinolin-6-amine
SMILESCNCc1cn(S(=O)c2cccnc2)c2cc(Nc3ccc4ncccc4c3)ccc12
InChIInChI=1S/C24H21N5OS/c1-25-14-18-16-29(31(30)21-5-3-10-26-15-21)24-13-20(6-8-22(18)24)28-19-7-9-23-17(12-19)4-2-11-27-23/h2-13,15-16,25,28H,14H2,1H3
InChIKeyPELDFXBUGOQORR-UHFFFAOYSA-N
MW427.53 g/mol
LogP4.62
Rot. Bonds6

About N-[3-(methylaminomethyl)-1-pyridin-3-ylsulfinylindol-6-yl]quinolin-6-amine

N-[3-(methylaminomethyl)-1-pyridin-3-ylsulfinylindol-6-yl]quinolin-6-amine (PubChem CID 118000947) has the molecular formula C24H21N5OS and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[3-(methylaminomethyl)-1-pyridin-3-ylsulfinylindol-6-yl]quinolin-6-amine.

Molecular Properties

Compound NameN-[3-(methylaminomethyl)-1-pyridin-3-ylsulfinylindol-6-yl]quinolin-6-amine
PubChem CID118000947
Molecular FormulaC24H21N5OS
Molecular Weight427.53 g/mol
Exact Mass427.15
IUPAC NameN-[3-(methylaminomethyl)-1-pyridin-3-ylsulfinylindol-6-yl]quinolin-6-amine
SMILESCNCc1cn(S(=O)c2cccnc2)c2cc(Nc3ccc4ncccc4c3)ccc12
InChIInChI=1S/C24H21N5OS/c1-25-14-18-16-29(31(30)21-5-3-10-26-15-21)24-13-20(6-8-22(18)24)28-19-7-9-23-17(12-19)4-2-11-27-23/h2-13,15-16,25,28H,14H2,1H3
InChIKeyPELDFXBUGOQORR-UHFFFAOYSA-N
XLogP4.62
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-bromo-6-fluoro-3-pyridinyl)-3-(methylaminomethyl)-1-pyridin-3-ylsulfinylindol-6-amine
CID 134357258
N-(3-bromo-2-methoxy-4-pyridinyl)-3-(methylaminomethyl)-1-pyridin-3-ylsulfinylindol-6-amine
CID 118000944
1-[1-[3-(difluoromethoxy)phenyl]sulfinyl-6-(2-fluoro-4-pyridinyl)indol-3-yl]-N-methylmethanamine
CID 118000562
1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfinylpyrrol-3-yl]-N-methylmethanamine
CID 149059387
N-(pyridin-3-ylmethyl)quinolin-6-amine
CID 53392291
1-[4-(quinolin-6-ylamino)phenyl]ethanone
CID 82536653
N-(2-chloro-4-fluorophenyl)-3-(methylaminomethyl)-1-pyridin-3-ylsulfanylindol-6-amine
CID 134357564
N-[(4-methoxyphenyl)methyl]-3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine
CID 174792289
N-[4-bromo-2-(trifluoromethoxy)phenyl]-3-(methylaminomethyl)-1-pyridin-3-ylsulfanylindol-6-amine
CID 134357455
9-propan-2-yl-6-N-(pyridin-3-ylmethyl)-2-N-quinolin-6-ylpurine-2,6-diamine
CID 117084811
N-(4-acetamidophenyl)-2-[1-[6-(quinolin-6-ylamino)pyridazin-3-yl]indol-3-yl]acetamide
CID 117086468
N-(1-benzofuran-3-ylmethyl)quinolin-6-amine
CID 80700880

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylaminomethyl)-1-pyridin-3-ylsulfinylindol-6-yl]quinolin-6-amine?
The IUPAC name of N-[3-(methylaminomethyl)-1-pyridin-3-ylsulfinylindol-6-yl]quinolin-6-amine (CID 118000947) is N-[3-(methylaminomethyl)-1-pyridin-3-ylsulfinylindol-6-yl]quinolin-6-amine.
What is the SMILES notation for N-[3-(methylaminomethyl)-1-pyridin-3-ylsulfinylindol-6-yl]quinolin-6-amine?
The canonical SMILES for N-[3-(methylaminomethyl)-1-pyridin-3-ylsulfinylindol-6-yl]quinolin-6-amine is CNCc1cn(S(=O)c2cccnc2)c2cc(Nc3ccc4ncccc4c3)ccc12.
What is the InChIKey of N-[3-(methylaminomethyl)-1-pyridin-3-ylsulfinylindol-6-yl]quinolin-6-amine?
The InChIKey is PELDFXBUGOQORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5OS/c1-25-14-18-16-29(31(30)21-5-3-10-26-15-21)24-13-20(6-8-22(18)24)28-19-7-9-23-17(12-19)4-2-11-27-23/h2-13,15-16,25,28H,14H2,1H3.
What are the key properties of N-[3-(methylaminomethyl)-1-pyridin-3-ylsulfinylindol-6-yl]quinolin-6-amine?
N-[3-(methylaminomethyl)-1-pyridin-3-ylsulfinylindol-6-yl]quinolin-6-amine has a molecular weight of 427.53 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylaminomethyl)-1-pyridin-3-ylsulfinylindol-6-yl]quinolin-6-amine is sourced from PubChem (CID 118000947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).