3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide

C23H21N3O2S — CID 95830336

IUPAC3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
SMILESNC(=O)c1sc2ccccc2c1[C@@H]1CN(Cc2ccc3ncccc3c2)CCO1
InChIInChI=1S/C23H21N3O2S/c24-23(27)22-21(17-5-1-2-6-20(17)29-22)19-14-26(10-11-28-19)13-15-7-8-18-16(12-15)4-3-9-25-18/h1-9,12,19H,10-11,13-14H2,(H2,24,27)/t19-/m0/s1
InChIKeyOLYQGCAYAWYTQB-IBGZPJMESA-N
MW403.51 g/mol
LogP4.12
Rot. Bonds4

About 3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide

3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide (PubChem CID 95830336) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is 3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
PubChem CID95830336
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC Name3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
SMILESNC(=O)c1sc2ccccc2c1[C@@H]1CN(Cc2ccc3ncccc3c2)CCO1
InChIInChI=1S/C23H21N3O2S/c24-23(27)22-21(17-5-1-2-6-20(17)29-22)19-14-26(10-11-28-19)13-15-7-8-18-16(12-15)4-3-9-25-18/h1-9,12,19H,10-11,13-14H2,(H2,24,27)/t19-/m0/s1
InChIKeyOLYQGCAYAWYTQB-IBGZPJMESA-N
XLogP4.12
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 95830356
N-methyl-3-[4-(quinolin-6-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 110259852
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
3-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92618919
3-[4-(quinolin-2-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 110269842
3-[4-(quinolin-6-ylmethyl)morpholin-2-yl]pyrazin-2-amine
CID 110112796
N-methyl-3-[4-(quinolin-4-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 110259853
N'-hydroxy-4-(quinolin-6-ylmethyl)morpholine-2-carboximidamide
CID 79670544
2-(2,6-dimethylpyrimidin-4-yl)-4-(quinolin-6-ylmethyl)morpholine
CID 110115969
N-propan-2-yl-3-[(2S)-4-(quinolin-4-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92618961
N-(2-hydroxyethyl)-3-[(2R)-4-(quinolin-4-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92618962

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide (CID 95830336) is 3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide is NC(=O)c1sc2ccccc2c1[C@@H]1CN(Cc2ccc3ncccc3c2)CCO1.
What is the InChIKey of 3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is OLYQGCAYAWYTQB-IBGZPJMESA-N. The full InChI is InChI=1S/C23H21N3O2S/c24-23(27)22-21(17-5-1-2-6-20(17)29-22)19-14-26(10-11-28-19)13-15-7-8-18-16(12-15)4-3-9-25-18/h1-9,12,19H,10-11,13-14H2,(H2,24,27)/t19-/m0/s1.
What are the key properties of 3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide?
3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 403.51 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 95830336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).