N-[2-[4-(dimethylamino)piperidin-1-yl]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide

C28H34N6O3S — CID 146196864

About N-[2-[4-(dimethylamino)piperidin-1-yl]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide

N-[2-[4-(dimethylamino)piperidin-1-yl]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide (PubChem CID 146196864) has the molecular formula C28H34N6O3S and a molecular weight of 534.69 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)piperidin-1-yl]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[4-(dimethylamino)piperidin-1-yl]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide
• PubChem CID: 146196864
• Molecular Formula: C28H34N6O3S
• Molecular Weight: 534.69 g/mol
• Exact Mass: 534.24
• IUPAC Name: N-[2-[4-(dimethylamino)piperidin-1-yl]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide
• SMILES: CN1C(=O)C2(CCC2)c2c1cnc1ccc(-c3cnc(N4CCC(N(C)C)CC4)c(NS(C)(=O)=O)c3)cc21
• InChI: InChI=1S/C28H34N6O3S/c1-32(2)20-8-12-34(13-9-20)26-23(31-38(4,36)37)15-19(16-30-26)18-6-7-22-21(14-18)25-24(17-29-22)33(3)27(35)28(25)10-5-11-28/h6-7,14-17,20,31H,5,8-13H2,1-4H3
• InChIKey: PRERCCDYFHKJKS-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 98.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.69
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)piperidin-1-yl]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide?

The IUPAC name of N-[2-[4-(dimethylamino)piperidin-1-yl]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide (CID 146196864) is N-[2-[4-(dimethylamino)piperidin-1-yl]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide.

What is the SMILES notation for N-[2-[4-(dimethylamino)piperidin-1-yl]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide?

The canonical SMILES for N-[2-[4-(dimethylamino)piperidin-1-yl]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide is CN1C(=O)C2(CCC2)c2c1cnc1ccc(-c3cnc(N4CCC(N(C)C)CC4)c(NS(C)(=O)=O)c3)cc21.

What is the InChIKey of N-[2-[4-(dimethylamino)piperidin-1-yl]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide?

The InChIKey is PRERCCDYFHKJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O3S/c1-32(2)20-8-12-34(13-9-20)26-23(31-38(4,36)37)15-19(16-30-26)18-6-7-22-21(14-18)25-24(17-29-22)33(3)27(35)28(25)10-5-11-28/h6-7,14-17,20,31H,5,8-13H2,1-4H3.

What are the key properties of N-[2-[4-(dimethylamino)piperidin-1-yl]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide?

N-[2-[4-(dimethylamino)piperidin-1-yl]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide has a molecular weight of 534.69 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(dimethylamino)piperidin-1-yl]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 146196864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).