8'-[6-[3-(dimethylamino)propoxy]-5-methoxy-3-pyridinyl]-3'-methylspiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one

C25H28N4O3 — CID 146212392

IUPAC8'-[6-[3-(dimethylamino)propoxy]-5-methoxy-3-pyridinyl]-3'-methylspiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one
SMILESCOc1cc(-c2ccc3ncc4c(c3c2)C2(CC2)C(=O)N4C)cnc1OCCCN(C)C
InChIInChI=1S/C25H28N4O3/c1-28(2)10-5-11-32-23-21(31-4)13-17(14-27-23)16-6-7-19-18(12-16)22-20(15-26-19)29(3)24(30)25(22)8-9-25/h6-7,12-15H,5,8-11H2,1-4H3
InChIKeyGMRYTHOXLVANGW-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.64
Rot. Bonds7

About 8'-[6-[3-(dimethylamino)propoxy]-5-methoxy-3-pyridinyl]-3'-methylspiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one

8'-[6-[3-(dimethylamino)propoxy]-5-methoxy-3-pyridinyl]-3'-methylspiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one (PubChem CID 146212392) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 8'-[6-[3-(dimethylamino)propoxy]-5-methoxy-3-pyridinyl]-3'-methylspiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one.

Molecular Properties

Compound Name8'-[6-[3-(dimethylamino)propoxy]-5-methoxy-3-pyridinyl]-3'-methylspiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one
PubChem CID146212392
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name8'-[6-[3-(dimethylamino)propoxy]-5-methoxy-3-pyridinyl]-3'-methylspiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one
SMILESCOc1cc(-c2ccc3ncc4c(c3c2)C2(CC2)C(=O)N4C)cnc1OCCCN(C)C
InChIInChI=1S/C25H28N4O3/c1-28(2)10-5-11-32-23-21(31-4)13-17(14-27-23)16-6-7-19-18(12-16)22-20(15-26-19)29(3)24(30)25(22)8-9-25/h6-7,12-15H,5,8-11H2,1-4H3
InChIKeyGMRYTHOXLVANGW-UHFFFAOYSA-N
XLogP3.64
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8'-[6-[3-(dimethylamino)propoxy]-5-methoxy-3-pyridinyl]-3'-methylspiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8'-[6-[3-(dimethylamino)propoxy]-5-methoxy-3-pyridinyl]-3'-methylspiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one?
The IUPAC name of 8'-[6-[3-(dimethylamino)propoxy]-5-methoxy-3-pyridinyl]-3'-methylspiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one (CID 146212392) is 8'-[6-[3-(dimethylamino)propoxy]-5-methoxy-3-pyridinyl]-3'-methylspiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one.
What is the SMILES notation for 8'-[6-[3-(dimethylamino)propoxy]-5-methoxy-3-pyridinyl]-3'-methylspiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one?
The canonical SMILES for 8'-[6-[3-(dimethylamino)propoxy]-5-methoxy-3-pyridinyl]-3'-methylspiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one is COc1cc(-c2ccc3ncc4c(c3c2)C2(CC2)C(=O)N4C)cnc1OCCCN(C)C.
What is the InChIKey of 8'-[6-[3-(dimethylamino)propoxy]-5-methoxy-3-pyridinyl]-3'-methylspiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one?
The InChIKey is GMRYTHOXLVANGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-28(2)10-5-11-32-23-21(31-4)13-17(14-27-23)16-6-7-19-18(12-16)22-20(15-26-19)29(3)24(30)25(22)8-9-25/h6-7,12-15H,5,8-11H2,1-4H3.
What are the key properties of 8'-[6-[3-(dimethylamino)propoxy]-5-methoxy-3-pyridinyl]-3'-methylspiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one?
8'-[6-[3-(dimethylamino)propoxy]-5-methoxy-3-pyridinyl]-3'-methylspiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one has a molecular weight of 432.52 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-[6-[3-(dimethylamino)propoxy]-5-methoxy-3-pyridinyl]-3'-methylspiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one is sourced from PubChem (CID 146212392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).