3-[4-(quinolin-2-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

C22H20N4O2S — CID 110269842

IUPAC3-[4-(quinolin-2-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2ncccc2c1C1CN(Cc2ccc3ccccc3n2)CCO1
InChIInChI=1S/C22H20N4O2S/c23-21(27)20-19(16-5-3-9-24-22(16)29-20)18-13-26(10-11-28-18)12-15-8-7-14-4-1-2-6-17(14)25-15/h1-9,18H,10-13H2,(H2,23,27)
InChIKeyCZNKIKIZCWZKPS-UHFFFAOYSA-N
MW404.50 g/mol
LogP3.52
Rot. Bonds4

About 3-[4-(quinolin-2-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

3-[4-(quinolin-2-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 110269842) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is 3-[4-(quinolin-2-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[4-(quinolin-2-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID110269842
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC Name3-[4-(quinolin-2-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2ncccc2c1C1CN(Cc2ccc3ccccc3n2)CCO1
InChIInChI=1S/C22H20N4O2S/c23-21(27)20-19(16-5-3-9-24-22(16)29-20)18-13-26(10-11-28-18)12-15-8-7-14-4-1-2-6-17(14)25-15/h1-9,18H,10-13H2,(H2,23,27)
InChIKeyCZNKIKIZCWZKPS-UHFFFAOYSA-N
XLogP3.52
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 95830356
3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 95830336
N-methyl-3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 95830358
3-[(2S)-4-[[2-(dimethylamino)-3-pyridinyl]methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92619412
N-propan-2-yl-3-[4-(quinolin-8-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 110259862
(2S)-2-(5-methyl-2-pyridinyl)-4-(quinolin-2-ylmethyl)morpholine
CID 124998096
3-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92618919
3-[(2R)-4-[(1-acetylindol-3-yl)methyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 125003964
3-[4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 110130540
4-(quinolin-2-ylmethyl)morpholine-2-carboximidamide
CID 79676619
N-(2-hydroxyethyl)-3-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 127248389
N-methyl-3-[4-(quinolin-6-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 110259852

Frequently Asked Questions

What is the IUPAC name of 3-[4-(quinolin-2-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-[4-(quinolin-2-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 110269842) is 3-[4-(quinolin-2-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[4-(quinolin-2-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[4-(quinolin-2-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide is NC(=O)c1sc2ncccc2c1C1CN(Cc2ccc3ccccc3n2)CCO1.
What is the InChIKey of 3-[4-(quinolin-2-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is CZNKIKIZCWZKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c23-21(27)20-19(16-5-3-9-24-22(16)29-20)18-13-26(10-11-28-18)12-15-8-7-14-4-1-2-6-17(14)25-15/h1-9,18H,10-13H2,(H2,23,27).
What are the key properties of 3-[4-(quinolin-2-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
3-[4-(quinolin-2-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 404.50 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(quinolin-2-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 110269842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).