3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

C22H20N4O2S — CID 95830356

IUPAC3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2ncccc2c1[C@@H]1CN(Cc2ccc3ncccc3c2)CCO1
InChIInChI=1S/C22H20N4O2S/c23-21(27)20-19(16-4-2-8-25-22(16)29-20)18-13-26(9-10-28-18)12-14-5-6-17-15(11-14)3-1-7-24-17/h1-8,11,18H,9-10,12-13H2,(H2,23,27)/t18-/m0/s1
InChIKeyKAQXZBABXRRVTQ-SFHVURJKSA-N
MW404.50 g/mol
LogP3.52
Rot. Bonds4

About 3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 95830356) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is 3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID95830356
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC Name3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2ncccc2c1[C@@H]1CN(Cc2ccc3ncccc3c2)CCO1
InChIInChI=1S/C22H20N4O2S/c23-21(27)20-19(16-4-2-8-25-22(16)29-20)18-13-26(9-10-28-18)12-14-5-6-17-15(11-14)3-1-7-24-17/h1-8,11,18H,9-10,12-13H2,(H2,23,27)/t18-/m0/s1
InChIKeyKAQXZBABXRRVTQ-SFHVURJKSA-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

Analyze 3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

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-[4-(quinolin-2-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 110269842
N-methyl-3-[4-(quinolin-6-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 110259852
3-[4-(quinolin-6-ylmethyl)morpholin-2-yl]pyrazin-2-amine
CID 110112796
N-(2-methoxyethyl)-3-[(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 124971782
N'-hydroxy-4-(quinolin-6-ylmethyl)morpholine-2-carboximidamide
CID 79670544
2-methyl-4-[(2S)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137168485
2-(2,6-dimethylpyrimidin-4-yl)-4-(quinolin-6-ylmethyl)morpholine
CID 110115969
N-propan-2-yl-3-[4-(quinolin-8-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 110259862
N,N-dimethyl-1-[2-[4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-imidazol-5-yl]methanamine
CID 110117068
3-[(2S)-4-[[2-(dimethylamino)-3-pyridinyl]methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92619412

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 95830356) is 3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide is NC(=O)c1sc2ncccc2c1[C@@H]1CN(Cc2ccc3ncccc3c2)CCO1.
What is the InChIKey of 3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is KAQXZBABXRRVTQ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H20N4O2S/c23-21(27)20-19(16-4-2-8-25-22(16)29-20)18-13-26(9-10-28-18)12-14-5-6-17-15(11-14)3-1-7-24-17/h1-8,11,18H,9-10,12-13H2,(H2,23,27)/t18-/m0/s1.
What are the key properties of 3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
3-[(2R)-4-(quinolin-6-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-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 95830356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).