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

C23H22N4O2S — CID 95830358

IUPACN-methyl-3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)c1sc2ncccc2c1[C@@H]1CN(Cc2ccc3ncccc3c2)CCO1
InChIInChI=1S/C23H22N4O2S/c1-24-22(28)21-20(17-5-3-9-26-23(17)30-21)19-14-27(10-11-29-19)13-15-6-7-18-16(12-15)4-2-8-25-18/h2-9,12,19H,10-11,13-14H2,1H3,(H,24,28)/t19-/m0/s1
InChIKeyNBLYBLBEHULXEH-IBGZPJMESA-N
MW418.52 g/mol
LogP3.78
Rot. Bonds4

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

N-methyl-3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 95830358) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-methyl-3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID95830358
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC NameN-methyl-3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)c1sc2ncccc2c1[C@@H]1CN(Cc2ccc3ncccc3c2)CCO1
InChIInChI=1S/C23H22N4O2S/c1-24-22(28)21-20(17-5-3-9-26-23(17)30-21)19-14-27(10-11-29-19)13-15-6-7-18-16(12-15)4-2-8-25-18/h2-9,12,19H,10-11,13-14H2,1H3,(H,24,28)/t19-/m0/s1
InChIKeyNBLYBLBEHULXEH-IBGZPJMESA-N
XLogP3.78
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-3-[4-(quinolin-6-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 110259852
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-(2-methoxyethyl)-3-[(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 124971782
N-propan-2-yl-3-[4-(quinolin-8-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 110259862
3-[4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 110130540
N-methyl-3-[4-(quinolin-4-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 110259853
3-[4-(quinolin-2-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 110269842
2-methyl-4-[(2S)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137168485
3-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide
CID 155983033
2-(2,6-dimethylpyrimidin-4-yl)-4-(quinolin-6-ylmethyl)morpholine
CID 110115969
3-[4-(quinolin-6-ylmethyl)morpholin-2-yl]pyrazin-2-amine
CID 110112796

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-methyl-3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 95830358) is N-methyl-3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide is CNC(=O)c1sc2ncccc2c1[C@@H]1CN(Cc2ccc3ncccc3c2)CCO1.
What is the InChIKey of N-methyl-3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is NBLYBLBEHULXEH-IBGZPJMESA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-24-22(28)21-20(17-5-3-9-26-23(17)30-21)19-14-27(10-11-29-19)13-15-6-7-18-16(12-15)4-2-8-25-18/h2-9,12,19H,10-11,13-14H2,1H3,(H,24,28)/t19-/m0/s1.
What are the key properties of N-methyl-3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
N-methyl-3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 95830358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).