(5-chloro-4,6-dimethyl-3-quinoxalin-6-ylthieno[2,3-b]pyridine-2-carbonyl)azanide;rubidium(1+)

C18H12ClN4ORbS — CID 144796975

IUPAC(5-chloro-4,6-dimethyl-3-quinoxalin-6-ylthieno[2,3-b]pyridine-2-carbonyl)azanide;rubidium(1+)
SMILESCc1nc2sc(C([NH-])=O)c(-c3ccc4nccnc4c3)c2c(C)c1Cl.[Rb+]
InChIInChI=1S/C18H13ClN4OS.Rb/c1-8-13-14(10-3-4-11-12(7-10)22-6-5-21-11)16(17(20)24)25-18(13)23-9(2)15(8)19;/h3-7H,1-2H3,(H2,20,24);/q;+1/p-1
InChIKeyRGHAKTBQWMFIEF-UHFFFAOYSA-M
MW453.31 g/mol
LogP2.37
Rot. Bonds2

About (5-chloro-4,6-dimethyl-3-quinoxalin-6-ylthieno[2,3-b]pyridine-2-carbonyl)azanide;rubidium(1+)

(5-chloro-4,6-dimethyl-3-quinoxalin-6-ylthieno[2,3-b]pyridine-2-carbonyl)azanide;rubidium(1+) (PubChem CID 144796975) has the molecular formula C18H12ClN4ORbS and a molecular weight of 453.31 g/mol. Its IUPAC name is (5-chloro-4,6-dimethyl-3-quinoxalin-6-ylthieno[2,3-b]pyridine-2-carbonyl)azanide;rubidium(1+).

Molecular Properties

Compound Name(5-chloro-4,6-dimethyl-3-quinoxalin-6-ylthieno[2,3-b]pyridine-2-carbonyl)azanide;rubidium(1+)
PubChem CID144796975
Molecular FormulaC18H12ClN4ORbS
Molecular Weight453.31 g/mol
Exact Mass451.95
IUPAC Name(5-chloro-4,6-dimethyl-3-quinoxalin-6-ylthieno[2,3-b]pyridine-2-carbonyl)azanide;rubidium(1+)
SMILESCc1nc2sc(C([NH-])=O)c(-c3ccc4nccnc4c3)c2c(C)c1Cl.[Rb+]
InChIInChI=1S/C18H13ClN4OS.Rb/c1-8-13-14(10-3-4-11-12(7-10)22-6-5-21-11)16(17(20)24)25-18(13)23-9(2)15(8)19;/h3-7H,1-2H3,(H2,20,24);/q;+1/p-1
InChIKeyRGHAKTBQWMFIEF-UHFFFAOYSA-M
XLogP2.37
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.31
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-chloro-4,6-dimethyl-3-quinoxalin-6-ylthieno[2,3-b]pyridine-2-carbonyl)azanide;rubidium(1+) with MolForge

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Related Compounds

[3-(2,1,3-benzoxadiazol-5-yl)-5-chloro-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl]-methylazanide;rubidium(1+)
CID 144797004
(4,6-dimethyl-3-phenylthieno[2,3-b]pyridine-2-carbonyl)azanide;rubidium(1+)
CID 144797022
N-(2-benzoyl-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-3-yl)benzamide
CID 16762602
5-chloro-N-cyclobutyl-4,6-dimethyl-3-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 121479876
methyl 2,5-dimethyl-4-quinoxalin-6-yloxythieno[2,3-d]pyrimidine-6-carboxylate
CID 133406573
3-bromo-5-chloro-N,N,4,6-tetramethylthieno[2,3-b]pyridine-2-carboxamide
CID 121479810
[5-chloro-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridin-2-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 121479821
N-(2-adamantyl)-5-chloro-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 121472182
3-amino-5-chloro-4,6-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-b]pyridine-2-carboxamide;tris(2,2,2-trifluoroacetic acid)
CID 53382517
2-methyl-5-quinoxalin-6-ylpyridine-3-carboxamide
CID 174843586
3-bromo-5-chloro-4,6-dimethyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 121479811
5-chloro-N-[1-(4-methoxyphenyl)ethyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 123870514

Frequently Asked Questions

What is the IUPAC name of (5-chloro-4,6-dimethyl-3-quinoxalin-6-ylthieno[2,3-b]pyridine-2-carbonyl)azanide;rubidium(1+)?
The IUPAC name of (5-chloro-4,6-dimethyl-3-quinoxalin-6-ylthieno[2,3-b]pyridine-2-carbonyl)azanide;rubidium(1+) (CID 144796975) is (5-chloro-4,6-dimethyl-3-quinoxalin-6-ylthieno[2,3-b]pyridine-2-carbonyl)azanide;rubidium(1+).
What is the SMILES notation for (5-chloro-4,6-dimethyl-3-quinoxalin-6-ylthieno[2,3-b]pyridine-2-carbonyl)azanide;rubidium(1+)?
The canonical SMILES for (5-chloro-4,6-dimethyl-3-quinoxalin-6-ylthieno[2,3-b]pyridine-2-carbonyl)azanide;rubidium(1+) is Cc1nc2sc(C([NH-])=O)c(-c3ccc4nccnc4c3)c2c(C)c1Cl.[Rb+].
What is the InChIKey of (5-chloro-4,6-dimethyl-3-quinoxalin-6-ylthieno[2,3-b]pyridine-2-carbonyl)azanide;rubidium(1+)?
The InChIKey is RGHAKTBQWMFIEF-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H13ClN4OS.Rb/c1-8-13-14(10-3-4-11-12(7-10)22-6-5-21-11)16(17(20)24)25-18(13)23-9(2)15(8)19;/h3-7H,1-2H3,(H2,20,24);/q;+1/p-1.
What are the key properties of (5-chloro-4,6-dimethyl-3-quinoxalin-6-ylthieno[2,3-b]pyridine-2-carbonyl)azanide;rubidium(1+)?
(5-chloro-4,6-dimethyl-3-quinoxalin-6-ylthieno[2,3-b]pyridine-2-carbonyl)azanide;rubidium(1+) has a molecular weight of 453.31 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4,6-dimethyl-3-quinoxalin-6-ylthieno[2,3-b]pyridine-2-carbonyl)azanide;rubidium(1+) is sourced from PubChem (CID 144796975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).