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

C29H38N6O4S — CID 146196969

IUPAC2-(dimethylamino)-N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]ethanesulfonamide
SMILESCN(C)CCCOc1ncc(-c2ccc3ncc4c(c3c2)C2(CCC2)C(=O)N4C)cc1NS(=O)(=O)CCN(C)C
InChIInChI=1S/C29H38N6O4S/c1-33(2)12-7-14-39-27-24(32-40(37,38)15-13-34(3)4)17-21(18-31-27)20-8-9-23-22(16-20)26-25(19-30-23)35(5)28(36)29(26)10-6-11-29/h8-9,16-19,32H,6-7,10-15H2,1-5H3
InChIKeyFJZRPBNZGNDNFJ-UHFFFAOYSA-N
MW566.73 g/mol
LogP3.33
Rot. Bonds11

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

2-(dimethylamino)-N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]ethanesulfonamide (PubChem CID 146196969) has the molecular formula C29H38N6O4S and a molecular weight of 566.73 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]ethanesulfonamide
PubChem CID146196969
Molecular FormulaC29H38N6O4S
Molecular Weight566.73 g/mol
Exact Mass566.27
IUPAC Name2-(dimethylamino)-N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]ethanesulfonamide
SMILESCN(C)CCCOc1ncc(-c2ccc3ncc4c(c3c2)C2(CCC2)C(=O)N4C)cc1NS(=O)(=O)CCN(C)C
InChIInChI=1S/C29H38N6O4S/c1-33(2)12-7-14-39-27-24(32-40(37,38)15-13-34(3)4)17-21(18-31-27)20-8-9-23-22(16-20)26-25(19-30-23)35(5)28(36)29(26)10-6-11-29/h8-9,16-19,32H,6-7,10-15H2,1-5H3
InChIKeyFJZRPBNZGNDNFJ-UHFFFAOYSA-N
XLogP3.33
TPSA107.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.73
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(dimethylamino)-N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]ethanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]ethanesulfonamide?
The IUPAC name of 2-(dimethylamino)-N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]ethanesulfonamide (CID 146196969) is 2-(dimethylamino)-N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]ethanesulfonamide.
What is the SMILES notation for 2-(dimethylamino)-N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]ethanesulfonamide?
The canonical SMILES for 2-(dimethylamino)-N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]ethanesulfonamide is CN(C)CCCOc1ncc(-c2ccc3ncc4c(c3c2)C2(CCC2)C(=O)N4C)cc1NS(=O)(=O)CCN(C)C.
What is the InChIKey of 2-(dimethylamino)-N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]ethanesulfonamide?
The InChIKey is FJZRPBNZGNDNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N6O4S/c1-33(2)12-7-14-39-27-24(32-40(37,38)15-13-34(3)4)17-21(18-31-27)20-8-9-23-22(16-20)26-25(19-30-23)35(5)28(36)29(26)10-6-11-29/h8-9,16-19,32H,6-7,10-15H2,1-5H3.
What are the key properties of 2-(dimethylamino)-N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]ethanesulfonamide?
2-(dimethylamino)-N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]ethanesulfonamide has a molecular weight of 566.73 g/mol, XLogP of 3.33, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 146196969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).