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

C34H38N6O3S — CID 146211663

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]-4-methylbenzenesulfonamide

N-[2-[4-(dimethylamino)piperidin-1-yl]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]-4-methylbenzenesulfonamide (PubChem CID 146211663) has the molecular formula C34H38N6O3S and a molecular weight of 610.78 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]-4-methylbenzenesulfonamide.

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]-4-methylbenzenesulfonamide
• PubChem CID: 146211663
• Molecular Formula: C34H38N6O3S
• Molecular Weight: 610.78 g/mol
• Exact Mass: 610.27
• 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]-4-methylbenzenesulfonamide
• SMILES: Cc1ccc(S(=O)(=O)Nc2cc(-c3ccc4ncc5c(c4c3)C3(CCC3)C(=O)N5C)cnc2N2CCC(N(C)C)CC2)cc1
• InChI: InChI=1S/C34H38N6O3S/c1-22-6-9-26(10-7-22)44(42,43)37-29-19-24(20-36-32(29)40-16-12-25(13-17-40)38(2)3)23-8-11-28-27(18-23)31-30(21-35-28)39(4)33(41)34(31)14-5-15-34/h6-11,18-21,25,37H,5,12-17H2,1-4H3
• InChIKey: LHRFMKUDCWNZNK-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 98.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.78
LogP ≤ 5	5.33
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]-4-methylbenzenesulfonamide?

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]-4-methylbenzenesulfonamide (CID 146211663) 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]-4-methylbenzenesulfonamide.

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]-4-methylbenzenesulfonamide?

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]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(-c3ccc4ncc5c(c4c3)C3(CCC3)C(=O)N5C)cnc2N2CCC(N(C)C)CC2)cc1.

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]-4-methylbenzenesulfonamide?

The InChIKey is LHRFMKUDCWNZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N6O3S/c1-22-6-9-26(10-7-22)44(42,43)37-29-19-24(20-36-32(29)40-16-12-25(13-17-40)38(2)3)23-8-11-28-27(18-23)31-30(21-35-28)39(4)33(41)34(31)14-5-15-34/h6-11,18-21,25,37H,5,12-17H2,1-4H3.

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]-4-methylbenzenesulfonamide?

N-[2-[4-(dimethylamino)piperidin-1-yl]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]-4-methylbenzenesulfonamide has a molecular weight of 610.78 g/mol, XLogP of 5.33, 6 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]-4-methylbenzenesulfonamide is sourced from PubChem (CID 146211663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).