8'-[5-[[butyl(methyl)sulfamoyl]amino]-6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]

C30H40N6O4S — CID 146211613

IUPAC8'-[5-[[butyl(methyl)sulfamoyl]amino]-6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]
SMILESCCCCN(C)S(=O)(=O)Nc1cc(-c2ccc3ncc4c(c3c2)C2(CCC2)C(=O)N4C)cnc1OCCCN(C)C
InChIInChI=1S/C30H40N6O4S/c1-6-7-15-35(4)41(38,39)33-25-18-22(19-32-28(25)40-16-9-14-34(2)3)21-10-11-24-23(17-21)27-26(20-31-24)36(5)29(37)30(27)12-8-13-30/h10-11,17-20,33H,6-9,12-16H2,1-5H3
InChIKeyBRVMCINGPFSDAH-UHFFFAOYSA-N
MW580.76 g/mol
LogP4.41
Rot. Bonds12

About 8'-[5-[[butyl(methyl)sulfamoyl]amino]-6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]

8'-[5-[[butyl(methyl)sulfamoyl]amino]-6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline] (PubChem CID 146211613) has the molecular formula C30H40N6O4S and a molecular weight of 580.76 g/mol. Its IUPAC name is 8'-[5-[[butyl(methyl)sulfamoyl]amino]-6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline].

Molecular Properties

Compound Name8'-[5-[[butyl(methyl)sulfamoyl]amino]-6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]
PubChem CID146211613
Molecular FormulaC30H40N6O4S
Molecular Weight580.76 g/mol
Exact Mass580.28
IUPAC Name8'-[5-[[butyl(methyl)sulfamoyl]amino]-6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]
SMILESCCCCN(C)S(=O)(=O)Nc1cc(-c2ccc3ncc4c(c3c2)C2(CCC2)C(=O)N4C)cnc1OCCCN(C)C
InChIInChI=1S/C30H40N6O4S/c1-6-7-15-35(4)41(38,39)33-25-18-22(19-32-28(25)40-16-9-14-34(2)3)21-10-11-24-23(17-21)27-26(20-31-24)36(5)29(37)30(27)12-8-13-30/h10-11,17-20,33H,6-9,12-16H2,1-5H3
InChIKeyBRVMCINGPFSDAH-UHFFFAOYSA-N
XLogP4.41
TPSA107.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.76
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 8'-[5-[[butyl(methyl)sulfamoyl]amino]-6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8'-[5-[[butyl(methyl)sulfamoyl]amino]-6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]?
The IUPAC name of 8'-[5-[[butyl(methyl)sulfamoyl]amino]-6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline] (CID 146211613) is 8'-[5-[[butyl(methyl)sulfamoyl]amino]-6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline].
What is the SMILES notation for 8'-[5-[[butyl(methyl)sulfamoyl]amino]-6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]?
The canonical SMILES for 8'-[5-[[butyl(methyl)sulfamoyl]amino]-6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline] is CCCCN(C)S(=O)(=O)Nc1cc(-c2ccc3ncc4c(c3c2)C2(CCC2)C(=O)N4C)cnc1OCCCN(C)C.
What is the InChIKey of 8'-[5-[[butyl(methyl)sulfamoyl]amino]-6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]?
The InChIKey is BRVMCINGPFSDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N6O4S/c1-6-7-15-35(4)41(38,39)33-25-18-22(19-32-28(25)40-16-9-14-34(2)3)21-10-11-24-23(17-21)27-26(20-31-24)36(5)29(37)30(27)12-8-13-30/h10-11,17-20,33H,6-9,12-16H2,1-5H3.
What are the key properties of 8'-[5-[[butyl(methyl)sulfamoyl]amino]-6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]?
8'-[5-[[butyl(methyl)sulfamoyl]amino]-6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline] has a molecular weight of 580.76 g/mol, XLogP of 4.41, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-[5-[[butyl(methyl)sulfamoyl]amino]-6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline] is sourced from PubChem (CID 146211613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).