6,8-dimethyl-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-7-ol

C19H18N3O+ — CID 158341161

IUPAC6,8-dimethyl-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-7-ol
SMILESCc1cc2c3cccnc3n(-c3cccc[n+]3C)c2c(C)c1O
InChIInChI=1S/C19H17N3O/c1-12-11-15-14-7-6-9-20-19(14)22(17(15)13(2)18(12)23)16-8-4-5-10-21(16)3/h4-11H,1-3H3/p+1
InChIKeyYFSFQYKXFUUVLW-UHFFFAOYSA-O
MW304.37 g/mol
LogP3.33
Rot. Bonds1

About 6,8-dimethyl-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-7-ol

6,8-dimethyl-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-7-ol (PubChem CID 158341161) has the molecular formula C19H18N3O+ and a molecular weight of 304.37 g/mol. Its IUPAC name is 6,8-dimethyl-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-7-ol.

Molecular Properties

Compound Name6,8-dimethyl-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-7-ol
PubChem CID158341161
Molecular FormulaC19H18N3O+
Molecular Weight304.37 g/mol
Exact Mass304.14
IUPAC Name6,8-dimethyl-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-7-ol
SMILESCc1cc2c3cccnc3n(-c3cccc[n+]3C)c2c(C)c1O
InChIInChI=1S/C19H17N3O/c1-12-11-15-14-7-6-9-20-19(14)22(17(15)13(2)18(12)23)16-8-4-5-10-21(16)3/h4-11H,1-3H3/p+1
InChIKeyYFSFQYKXFUUVLW-UHFFFAOYSA-O
XLogP3.33
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-ol
CID 158408043
6-methyl-5,7-bis(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole
CID 177263990
9-[1,5-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,3-dimethylcarbazol-2-ol
CID 160527495
8-hydroxy-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 18737197
trimethyl-(10,11,14-trimethyl-1,3-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-20-yl)silane
CID 166030020
5,7-dimethylquinolin-8-ol
CID 118341298
5-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]quinolin-8-ol iodide
CID 137221721
N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54726976
7-methyl-9-phenylpyrido[2,3-b]indole
CID 140770345
4-hydroxy-1,3-dimethyl-1,8-naphthyridin-2-one
CID 54702806
1-methyl-2-(1-methylcarbazol-9-yl)-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-1-ium
CID 177263811
7-fluoro-5-methylquinolin-8-ol
CID 59613713

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-7-ol?
The IUPAC name of 6,8-dimethyl-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-7-ol (CID 158341161) is 6,8-dimethyl-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-7-ol.
What is the SMILES notation for 6,8-dimethyl-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-7-ol?
The canonical SMILES for 6,8-dimethyl-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-7-ol is Cc1cc2c3cccnc3n(-c3cccc[n+]3C)c2c(C)c1O.
What is the InChIKey of 6,8-dimethyl-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-7-ol?
The InChIKey is YFSFQYKXFUUVLW-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H17N3O/c1-12-11-15-14-7-6-9-20-19(14)22(17(15)13(2)18(12)23)16-8-4-5-10-21(16)3/h4-11H,1-3H3/p+1.
What are the key properties of 6,8-dimethyl-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-7-ol?
6,8-dimethyl-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-7-ol has a molecular weight of 304.37 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-7-ol is sourced from PubChem (CID 158341161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).