4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide

C30H26N4O4S2 — CID 43987898

About 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide

4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 43987898) has the molecular formula C30H26N4O4S2 and a molecular weight of 570.70 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
• PubChem CID: 43987898
• Molecular Formula: C30H26N4O4S2
• Molecular Weight: 570.70 g/mol
• Exact Mass: 570.14
• IUPAC Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
• SMILES: COc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)sc2c1
• InChI: InChI=1S/C30H26N4O4S2/c1-38-24-13-16-26-28(19-24)39-30(32-26)33(20-23-9-4-5-17-31-23)29(35)22-11-14-25(15-12-22)40(36,37)34-18-6-8-21-7-2-3-10-27(21)34/h2-5,7,9-17,19H,6,8,18,20H2,1H3
• InChIKey: LGBYJOMCZRGUKA-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 92.70 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.70
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide?

The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide (CID 43987898) is 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide.

What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide?

The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide is COc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)sc2c1.

What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide?

The InChIKey is LGBYJOMCZRGUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O4S2/c1-38-24-13-16-26-28(19-24)39-30(32-26)33(20-23-9-4-5-17-31-23)29(35)22-11-14-25(15-12-22)40(36,37)34-18-6-8-21-7-2-3-10-27(21)34/h2-5,7,9-17,19H,6,8,18,20H2,1H3.

What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide?

4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 570.70 g/mol, XLogP of 5.69, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 43987898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).