N-[5-[7'-fluoro-1-(3-methoxyphenyl)-3'-methyl-2'-oxospiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-2-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]methanesulfonamide

C32H35FN6O5S — CID 146212041

About N-[5-[7'-fluoro-1-(3-methoxyphenyl)-3'-methyl-2'-oxospiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-2-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]methanesulfonamide

N-[5-[7'-fluoro-1-(3-methoxyphenyl)-3'-methyl-2'-oxospiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-2-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]methanesulfonamide (PubChem CID 146212041) has the molecular formula C32H35FN6O5S and a molecular weight of 634.73 g/mol. Its IUPAC name is N-[5-[7'-fluoro-1-(3-methoxyphenyl)-3'-methyl-2'-oxospiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-2-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[5-[7'-fluoro-1-(3-methoxyphenyl)-3'-methyl-2'-oxospiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-2-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]methanesulfonamide
• PubChem CID: 146212041
• Molecular Formula: C32H35FN6O5S
• Molecular Weight: 634.73 g/mol
• Exact Mass: 634.24
• IUPAC Name: N-[5-[7'-fluoro-1-(3-methoxyphenyl)-3'-methyl-2'-oxospiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-2-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]methanesulfonamide
• SMILES: COc1cccc(N2CC3(C2)C(=O)N(C)c2cnc4cc(F)c(-c5cnc(OCCNC(C)C)c(NS(C)(=O)=O)c5)cc4c23)c1
• InChI: InChI=1S/C32H35FN6O5S/c1-19(2)34-9-10-44-30-27(37-45(5,41)42)11-20(15-36-30)23-13-24-26(14-25(23)33)35-16-28-29(24)32(31(40)38(28)3)17-39(18-32)21-7-6-8-22(12-21)43-4/h6-8,11-16,19,34,37H,9-10,17-18H2,1-5H3
• InChIKey: SHPLYDFNBVVDKH-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 125.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	634.73
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[7'-fluoro-1-(3-methoxyphenyl)-3'-methyl-2'-oxospiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-2-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]methanesulfonamide?

The IUPAC name of N-[5-[7'-fluoro-1-(3-methoxyphenyl)-3'-methyl-2'-oxospiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-2-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]methanesulfonamide (CID 146212041) is N-[5-[7'-fluoro-1-(3-methoxyphenyl)-3'-methyl-2'-oxospiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-2-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]methanesulfonamide.

What is the SMILES notation for N-[5-[7'-fluoro-1-(3-methoxyphenyl)-3'-methyl-2'-oxospiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-2-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]methanesulfonamide?

The canonical SMILES for N-[5-[7'-fluoro-1-(3-methoxyphenyl)-3'-methyl-2'-oxospiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-2-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]methanesulfonamide is COc1cccc(N2CC3(C2)C(=O)N(C)c2cnc4cc(F)c(-c5cnc(OCCNC(C)C)c(NS(C)(=O)=O)c5)cc4c23)c1.

What is the InChIKey of N-[5-[7'-fluoro-1-(3-methoxyphenyl)-3'-methyl-2'-oxospiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-2-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]methanesulfonamide?

The InChIKey is SHPLYDFNBVVDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35FN6O5S/c1-19(2)34-9-10-44-30-27(37-45(5,41)42)11-20(15-36-30)23-13-24-26(14-25(23)33)35-16-28-29(24)32(31(40)38(28)3)17-39(18-32)21-7-6-8-22(12-21)43-4/h6-8,11-16,19,34,37H,9-10,17-18H2,1-5H3.

What are the key properties of N-[5-[7'-fluoro-1-(3-methoxyphenyl)-3'-methyl-2'-oxospiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-2-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]methanesulfonamide?

N-[5-[7'-fluoro-1-(3-methoxyphenyl)-3'-methyl-2'-oxospiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-2-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]methanesulfonamide has a molecular weight of 634.73 g/mol, XLogP of 3.93, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[7'-fluoro-1-(3-methoxyphenyl)-3'-methyl-2'-oxospiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-2-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 146212041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).