3-amino-5-(1-hydroxyethyl)-6-methyl-N-quinolin-5-ylthieno[2,3-b]pyridine-2-carboxamide

C20H18N4O2S — CID 155814200

IUPAC3-amino-5-(1-hydroxyethyl)-6-methyl-N-quinolin-5-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nc2sc(C(=O)Nc3cccc4ncccc34)c(N)c2cc1C(C)O
InChIInChI=1S/C20H18N4O2S/c1-10-13(11(2)25)9-14-17(21)18(27-20(14)23-10)19(26)24-16-7-3-6-15-12(16)5-4-8-22-15/h3-9,11,25H,21H2,1-2H3,(H,24,26)
InChIKeyKCLIGHWTMXKFBK-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.04
Rot. Bonds3

About 3-amino-5-(1-hydroxyethyl)-6-methyl-N-quinolin-5-ylthieno[2,3-b]pyridine-2-carboxamide

3-amino-5-(1-hydroxyethyl)-6-methyl-N-quinolin-5-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 155814200) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 3-amino-5-(1-hydroxyethyl)-6-methyl-N-quinolin-5-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(1-hydroxyethyl)-6-methyl-N-quinolin-5-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID155814200
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name3-amino-5-(1-hydroxyethyl)-6-methyl-N-quinolin-5-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nc2sc(C(=O)Nc3cccc4ncccc34)c(N)c2cc1C(C)O
InChIInChI=1S/C20H18N4O2S/c1-10-13(11(2)25)9-14-17(21)18(27-20(14)23-10)19(26)24-16-7-3-6-15-12(16)5-4-8-22-15/h3-9,11,25H,21H2,1-2H3,(H,24,26)
InChIKeyKCLIGHWTMXKFBK-UHFFFAOYSA-N
XLogP4.04
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(1-hydroxyethyl)-6-methyl-N-quinolin-5-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-5-(1-hydroxyethyl)-6-methyl-N-quinolin-5-ylthieno[2,3-b]pyridine-2-carboxamide (CID 155814200) is 3-amino-5-(1-hydroxyethyl)-6-methyl-N-quinolin-5-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-5-(1-hydroxyethyl)-6-methyl-N-quinolin-5-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-5-(1-hydroxyethyl)-6-methyl-N-quinolin-5-ylthieno[2,3-b]pyridine-2-carboxamide is Cc1nc2sc(C(=O)Nc3cccc4ncccc34)c(N)c2cc1C(C)O.
What is the InChIKey of 3-amino-5-(1-hydroxyethyl)-6-methyl-N-quinolin-5-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is KCLIGHWTMXKFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-10-13(11(2)25)9-14-17(21)18(27-20(14)23-10)19(26)24-16-7-3-6-15-12(16)5-4-8-22-15/h3-9,11,25H,21H2,1-2H3,(H,24,26).
What are the key properties of 3-amino-5-(1-hydroxyethyl)-6-methyl-N-quinolin-5-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-5-(1-hydroxyethyl)-6-methyl-N-quinolin-5-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 378.46 g/mol, XLogP of 4.04, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(1-hydroxyethyl)-6-methyl-N-quinolin-5-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 155814200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).