N-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide

C27H29N5O3S — CID 146211678

About N-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide

N-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide (PubChem CID 146211678) has the molecular formula C27H29N5O3S and a molecular weight of 503.63 g/mol. Its IUPAC name is N-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-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-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide
• PubChem CID: 146211678
• Molecular Formula: C27H29N5O3S
• Molecular Weight: 503.63 g/mol
• Exact Mass: 503.20
• IUPAC Name: N-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide
• SMILES: CN1CC=C(c2ncc(-c3ccc4ncc5c(c4c3)C3(CCC3)C(=O)N5C)cc2NS(C)(=O)=O)CC1
• InChI: InChI=1S/C27H29N5O3S/c1-31-11-7-17(8-12-31)25-22(30-36(3,34)35)14-19(15-29-25)18-5-6-21-20(13-18)24-23(16-28-21)32(2)26(33)27(24)9-4-10-27/h5-7,13-16,30H,4,8-12H2,1-3H3
• InChIKey: YDUGTNVSNVLJAT-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 95.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.63
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-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-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide (CID 146211678) is N-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-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-(1-methyl-3,6-dihydro-2H-pyridin-4-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-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide is CN1CC=C(c2ncc(-c3ccc4ncc5c(c4c3)C3(CCC3)C(=O)N5C)cc2NS(C)(=O)=O)CC1.

What is the InChIKey of N-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide?

The InChIKey is YDUGTNVSNVLJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3S/c1-31-11-7-17(8-12-31)25-22(30-36(3,34)35)14-19(15-29-25)18-5-6-21-20(13-18)24-23(16-28-21)32(2)26(33)27(24)9-4-10-27/h5-7,13-16,30H,4,8-12H2,1-3H3.

What are the key properties of N-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide?

N-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide has a molecular weight of 503.63 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 146211678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).