N-propan-2-yl-3-[(2S)-4-(quinolin-4-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide

C26H27N3O2S — CID 92618961

About N-propan-2-yl-3-[(2S)-4-(quinolin-4-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide

N-propan-2-yl-3-[(2S)-4-(quinolin-4-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide (PubChem CID 92618961) has the molecular formula C26H27N3O2S and a molecular weight of 445.59 g/mol. Its IUPAC name is N-propan-2-yl-3-[(2S)-4-(quinolin-4-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-propan-2-yl-3-[(2S)-4-(quinolin-4-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
• PubChem CID: 92618961
• Molecular Formula: C26H27N3O2S
• Molecular Weight: 445.59 g/mol
• Exact Mass: 445.18
• IUPAC Name: N-propan-2-yl-3-[(2S)-4-(quinolin-4-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
• SMILES: CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CN(Cc2ccnc3ccccc23)CCO1
• InChI: InChI=1S/C26H27N3O2S/c1-17(2)28-26(30)25-24(20-8-4-6-10-23(20)32-25)22-16-29(13-14-31-22)15-18-11-12-27-21-9-5-3-7-19(18)21/h3-12,17,22H,13-16H2,1-2H3,(H,28,30)/t22-/m1/s1
• InChIKey: UWJOUIUVXBZGRX-JOCHJYFZSA-N
• XLogP: 5.16
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.59
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[(2S)-4-(quinolin-4-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide?

The IUPAC name of N-propan-2-yl-3-[(2S)-4-(quinolin-4-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide (CID 92618961) is N-propan-2-yl-3-[(2S)-4-(quinolin-4-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide.

What is the SMILES notation for N-propan-2-yl-3-[(2S)-4-(quinolin-4-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide?

The canonical SMILES for N-propan-2-yl-3-[(2S)-4-(quinolin-4-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide is CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CN(Cc2ccnc3ccccc23)CCO1.

What is the InChIKey of N-propan-2-yl-3-[(2S)-4-(quinolin-4-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide?

The InChIKey is UWJOUIUVXBZGRX-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H27N3O2S/c1-17(2)28-26(30)25-24(20-8-4-6-10-23(20)32-25)22-16-29(13-14-31-22)15-18-11-12-27-21-9-5-3-7-19(18)21/h3-12,17,22H,13-16H2,1-2H3,(H,28,30)/t22-/m1/s1.

What are the key properties of N-propan-2-yl-3-[(2S)-4-(quinolin-4-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide?

N-propan-2-yl-3-[(2S)-4-(quinolin-4-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 445.59 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-propan-2-yl-3-[(2S)-4-(quinolin-4-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 92618961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).