N-[5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-[(3R)-3-methyl-3-piperidin-1-ylpyrrolidin-1-yl]-3-pyridinyl]methanesulfonamide;hydrochloride

C31H39ClN6O3S — CID 175800368

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

N-[5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-[(3R)-3-methyl-3-piperidin-1-ylpyrrolidin-1-yl]-3-pyridinyl]methanesulfonamide;hydrochloride (PubChem CID 175800368) has the molecular formula C31H39ClN6O3S and a molecular weight of 611.21 g/mol. Its IUPAC name is N-[5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-[(3R)-3-methyl-3-piperidin-1-ylpyrrolidin-1-yl]-3-pyridinyl]methanesulfonamide;hydrochloride.

Molecular Properties

• Compound Name: N-[5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-[(3R)-3-methyl-3-piperidin-1-ylpyrrolidin-1-yl]-3-pyridinyl]methanesulfonamide;hydrochloride
• PubChem CID: 175800368
• Molecular Formula: C31H39ClN6O3S
• Molecular Weight: 611.21 g/mol
• Exact Mass: 610.25
• IUPAC Name: N-[5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-[(3R)-3-methyl-3-piperidin-1-ylpyrrolidin-1-yl]-3-pyridinyl]methanesulfonamide;hydrochloride
• SMILES: CN1C(=O)C2(CCC2)c2c1cnc1ccc(-c3cnc(N4CC[C@@](C)(N5CCCCC5)C4)c(NS(C)(=O)=O)c3)cc21.Cl
• InChI: InChI=1S/C31H38N6O3S.ClH/c1-30(37-13-5-4-6-14-37)12-15-36(20-30)28-25(34-41(3,39)40)17-22(18-33-28)21-8-9-24-23(16-21)27-26(19-32-24)35(2)29(38)31(27)10-7-11-31;/h8-9,16-19,34H,4-7,10-15,20H2,1-3H3;1H/t30-;/m1./s1
• InChIKey: CWLNLFXLIPYGNL-VNUFCWELSA-N
• XLogP: 4.94
• TPSA: 98.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	611.21
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-[(3R)-3-methyl-3-piperidin-1-ylpyrrolidin-1-yl]-3-pyridinyl]methanesulfonamide;hydrochloride (CID 175800368) is N-[5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-[(3R)-3-methyl-3-piperidin-1-ylpyrrolidin-1-yl]-3-pyridinyl]methanesulfonamide;hydrochloride.

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

The canonical SMILES for N-[5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-[(3R)-3-methyl-3-piperidin-1-ylpyrrolidin-1-yl]-3-pyridinyl]methanesulfonamide;hydrochloride is CN1C(=O)C2(CCC2)c2c1cnc1ccc(-c3cnc(N4CC[C@@](C)(N5CCCCC5)C4)c(NS(C)(=O)=O)c3)cc21.Cl.

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

The InChIKey is CWLNLFXLIPYGNL-VNUFCWELSA-N. The full InChI is InChI=1S/C31H38N6O3S.ClH/c1-30(37-13-5-4-6-14-37)12-15-36(20-30)28-25(34-41(3,39)40)17-22(18-33-28)21-8-9-24-23(16-21)27-26(19-32-24)35(2)29(38)31(27)10-7-11-31;/h8-9,16-19,34H,4-7,10-15,20H2,1-3H3;1H/t30-;/m1./s1.

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

N-[5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-[(3R)-3-methyl-3-piperidin-1-ylpyrrolidin-1-yl]-3-pyridinyl]methanesulfonamide;hydrochloride has a molecular weight of 611.21 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-[(3R)-3-methyl-3-piperidin-1-ylpyrrolidin-1-yl]-3-pyridinyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 175800368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).