8'-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one

C25H29N5O — CID 146211919

IUPAC8'-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one
SMILESCN(C)CCCNc1ccc(-c2ccc3ncc4c(c3c2)C2(CCC2)C(=O)N4C)cn1
InChIInChI=1S/C25H29N5O/c1-29(2)13-5-12-26-22-9-7-18(15-28-22)17-6-8-20-19(14-17)23-21(16-27-20)30(3)24(31)25(23)10-4-11-25/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,26,28)
InChIKeyWJRUYFROKOVHCI-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.06
Rot. Bonds6

About 8'-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one

8'-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one (PubChem CID 146211919) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 8'-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one.

Molecular Properties

Compound Name8'-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one
PubChem CID146211919
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name8'-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one
SMILESCN(C)CCCNc1ccc(-c2ccc3ncc4c(c3c2)C2(CCC2)C(=O)N4C)cn1
InChIInChI=1S/C25H29N5O/c1-29(2)13-5-12-26-22-9-7-18(15-28-22)17-6-8-20-19(14-17)23-21(16-27-20)30(3)24(31)25(23)10-4-11-25/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,26,28)
InChIKeyWJRUYFROKOVHCI-UHFFFAOYSA-N
XLogP4.06
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8'-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one?
The IUPAC name of 8'-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one (CID 146211919) is 8'-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one.
What is the SMILES notation for 8'-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one?
The canonical SMILES for 8'-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one is CN(C)CCCNc1ccc(-c2ccc3ncc4c(c3c2)C2(CCC2)C(=O)N4C)cn1.
What is the InChIKey of 8'-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one?
The InChIKey is WJRUYFROKOVHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-29(2)13-5-12-26-22-9-7-18(15-28-22)17-6-8-20-19(14-17)23-21(16-27-20)30(3)24(31)25(23)10-4-11-25/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,26,28).
What are the key properties of 8'-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one?
8'-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one has a molecular weight of 415.54 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one is sourced from PubChem (CID 146211919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).