8-methoxy-5-[(4-methylsulfanylphenyl)methyl]pyrido[3,2-b]indole

C20H18N2OS — CID 170621348

IUPAC8-methoxy-5-[(4-methylsulfanylphenyl)methyl]pyrido[3,2-b]indole
SMILESCOc1ccc2c(c1)c1ncccc1n2Cc1ccc(SC)cc1
InChIInChI=1S/C20H18N2OS/c1-23-15-7-10-18-17(12-15)20-19(4-3-11-21-20)22(18)13-14-5-8-16(24-2)9-6-14/h3-12H,13H2,1-2H3
InChIKeyLSZKYSGSRPSTTO-UHFFFAOYSA-N
MW334.44 g/mol
LogP4.97
Rot. Bonds4

About 8-methoxy-5-[(4-methylsulfanylphenyl)methyl]pyrido[3,2-b]indole

8-methoxy-5-[(4-methylsulfanylphenyl)methyl]pyrido[3,2-b]indole (PubChem CID 170621348) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is 8-methoxy-5-[(4-methylsulfanylphenyl)methyl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name8-methoxy-5-[(4-methylsulfanylphenyl)methyl]pyrido[3,2-b]indole
PubChem CID170621348
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC Name8-methoxy-5-[(4-methylsulfanylphenyl)methyl]pyrido[3,2-b]indole
SMILESCOc1ccc2c(c1)c1ncccc1n2Cc1ccc(SC)cc1
InChIInChI=1S/C20H18N2OS/c1-23-15-7-10-18-17(12-15)20-19(4-3-11-21-20)22(18)13-14-5-8-16(24-2)9-6-14/h3-12H,13H2,1-2H3
InChIKeyLSZKYSGSRPSTTO-UHFFFAOYSA-N
XLogP4.97
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-methyl-5-[(4-methylsulfanylphenyl)methyl]pyrido[3,2-b]indole
CID 170621212
[4-[(8-methoxypyrido[3,2-b]indol-5-yl)methyl]phenyl]-phenoxyphosphinic acid
CID 170621255
[1-fluoro-1-[4-[(8-methoxypyrido[3,2-b]indol-5-yl)methyl]phenyl]but-3-enyl]phosphonic acid
CID 170621200
[2,2-dimethylpropanoyloxymethoxy-[4-[(8-methoxypyrido[3,2-b]indol-5-yl)methyl]phenyl]phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 170621202
S-[4-[(6-methoxypyrido[3,4-b]indol-9-yl)methyl]phenyl]thiohydroxylamine
CID 174303203
4-[[8-(trifluoromethoxy)pyrido[3,2-b]indol-5-yl]methyl]benzenesulfinamide
CID 170621173
4-[(6-fluoro-8-methoxypyrido[3,2-b]indol-5-yl)methyl]benzenesulfonamide
CID 170621321
10-methoxy-2,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 140949513
4-[(12-methoxy-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methyl]benzenesulfonamide
CID 174302691
6-benzyl-9-methoxyindolo[3,2-b]quinoxaline
CID 828074
6-methoxy-9-[(4-methylphenyl)methyl]pyrido[3,4-b]indole
CID 170621370
3-[(4-methoxyphenyl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 18569438

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-[(4-methylsulfanylphenyl)methyl]pyrido[3,2-b]indole?
The IUPAC name of 8-methoxy-5-[(4-methylsulfanylphenyl)methyl]pyrido[3,2-b]indole (CID 170621348) is 8-methoxy-5-[(4-methylsulfanylphenyl)methyl]pyrido[3,2-b]indole.
What is the SMILES notation for 8-methoxy-5-[(4-methylsulfanylphenyl)methyl]pyrido[3,2-b]indole?
The canonical SMILES for 8-methoxy-5-[(4-methylsulfanylphenyl)methyl]pyrido[3,2-b]indole is COc1ccc2c(c1)c1ncccc1n2Cc1ccc(SC)cc1.
What is the InChIKey of 8-methoxy-5-[(4-methylsulfanylphenyl)methyl]pyrido[3,2-b]indole?
The InChIKey is LSZKYSGSRPSTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS/c1-23-15-7-10-18-17(12-15)20-19(4-3-11-21-20)22(18)13-14-5-8-16(24-2)9-6-14/h3-12H,13H2,1-2H3.
What are the key properties of 8-methoxy-5-[(4-methylsulfanylphenyl)methyl]pyrido[3,2-b]indole?
8-methoxy-5-[(4-methylsulfanylphenyl)methyl]pyrido[3,2-b]indole has a molecular weight of 334.44 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-[(4-methylsulfanylphenyl)methyl]pyrido[3,2-b]indole is sourced from PubChem (CID 170621348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).