N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclopentane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]benzamide

C33H35N5O3 — CID 146211706

About N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclopentane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]benzamide

N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclopentane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]benzamide (PubChem CID 146211706) has the molecular formula C33H35N5O3 and a molecular weight of 549.68 g/mol. Its IUPAC name is N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclopentane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]benzamide.

Molecular Properties

• Compound Name: N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclopentane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]benzamide
• PubChem CID: 146211706
• Molecular Formula: C33H35N5O3
• Molecular Weight: 549.68 g/mol
• Exact Mass: 549.27
• IUPAC Name: N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclopentane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]benzamide
• SMILES: CN(C)CCCOc1ncc(-c2ccc3ncc4c(c3c2)C2(CCCC2)C(=O)N4C)cc1NC(=O)c1ccccc1
• InChI: InChI=1S/C33H35N5O3/c1-37(2)16-9-17-41-31-27(36-30(39)22-10-5-4-6-11-22)19-24(20-35-31)23-12-13-26-25(18-23)29-28(21-34-26)38(3)32(40)33(29)14-7-8-15-33/h4-6,10-13,18-21H,7-9,14-17H2,1-3H3,(H,36,39)
• InChIKey: HWYUXRDVWUWJKJ-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 87.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.68
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclopentane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]benzamide (CID 146211706) is N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclopentane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]benzamide.

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

The canonical SMILES for N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclopentane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]benzamide is CN(C)CCCOc1ncc(-c2ccc3ncc4c(c3c2)C2(CCCC2)C(=O)N4C)cc1NC(=O)c1ccccc1.

What is the InChIKey of N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclopentane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]benzamide?

The InChIKey is HWYUXRDVWUWJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N5O3/c1-37(2)16-9-17-41-31-27(36-30(39)22-10-5-4-6-11-22)19-24(20-35-31)23-12-13-26-25(18-23)29-28(21-34-26)38(3)32(40)33(29)14-7-8-15-33/h4-6,10-13,18-21H,7-9,14-17H2,1-3H3,(H,36,39).

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

N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclopentane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]benzamide has a molecular weight of 549.68 g/mol, XLogP of 5.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclopentane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 146211706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).