6-cyano-N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]pyridine-3-sulfonamide;hydrochloride

C31H32ClN7O4S — CID 169322902

IUPAC6-cyano-N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]pyridine-3-sulfonamide;hydrochloride
SMILESCN(C)CCCOc1ncc(-c2ccc3ncc4c(c3c2)C2(CCC2)C(=O)N4C)cc1NS(=O)(=O)c1ccc(C#N)nc1.Cl
InChIInChI=1S/C31H31N7O4S.ClH/c1-37(2)12-5-13-42-29-26(36-43(40,41)23-8-7-22(16-32)33-18-23)15-21(17-35-29)20-6-9-25-24(14-20)28-27(19-34-25)38(3)30(39)31(28)10-4-11-31;/h6-9,14-15,17-19,36H,4-5,10-13H2,1-3H3;1H
InChIKeyRRCXDHVYIMMSPY-UHFFFAOYSA-N
MW634.16 g/mol
LogP4.51
Rot. Bonds9

About 6-cyano-N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]pyridine-3-sulfonamide;hydrochloride

6-cyano-N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]pyridine-3-sulfonamide;hydrochloride (PubChem CID 169322902) has the molecular formula C31H32ClN7O4S and a molecular weight of 634.16 g/mol. Its IUPAC name is 6-cyano-N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]pyridine-3-sulfonamide;hydrochloride.

Molecular Properties

Compound Name6-cyano-N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]pyridine-3-sulfonamide;hydrochloride
PubChem CID169322902
Molecular FormulaC31H32ClN7O4S
Molecular Weight634.16 g/mol
Exact Mass633.19
IUPAC Name6-cyano-N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]pyridine-3-sulfonamide;hydrochloride
SMILESCN(C)CCCOc1ncc(-c2ccc3ncc4c(c3c2)C2(CCC2)C(=O)N4C)cc1NS(=O)(=O)c1ccc(C#N)nc1.Cl
InChIInChI=1S/C31H31N7O4S.ClH/c1-37(2)12-5-13-42-29-26(36-43(40,41)23-8-7-22(16-32)33-18-23)15-21(17-35-29)20-6-9-25-24(14-20)28-27(19-34-25)38(3)30(39)31(28)10-4-11-31;/h6-9,14-15,17-19,36H,4-5,10-13H2,1-3H3;1H
InChIKeyRRCXDHVYIMMSPY-UHFFFAOYSA-N
XLogP4.51
TPSA141.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500634.16
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 6-cyano-N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]pyridine-3-sulfonamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]pyridine-3-sulfonamide;hydrochloride?
The IUPAC name of 6-cyano-N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]pyridine-3-sulfonamide;hydrochloride (CID 169322902) is 6-cyano-N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]pyridine-3-sulfonamide;hydrochloride.
What is the SMILES notation for 6-cyano-N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]pyridine-3-sulfonamide;hydrochloride?
The canonical SMILES for 6-cyano-N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]pyridine-3-sulfonamide;hydrochloride is CN(C)CCCOc1ncc(-c2ccc3ncc4c(c3c2)C2(CCC2)C(=O)N4C)cc1NS(=O)(=O)c1ccc(C#N)nc1.Cl.
What is the InChIKey of 6-cyano-N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]pyridine-3-sulfonamide;hydrochloride?
The InChIKey is RRCXDHVYIMMSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N7O4S.ClH/c1-37(2)12-5-13-42-29-26(36-43(40,41)23-8-7-22(16-32)33-18-23)15-21(17-35-29)20-6-9-25-24(14-20)28-27(19-34-25)38(3)30(39)31(28)10-4-11-31;/h6-9,14-15,17-19,36H,4-5,10-13H2,1-3H3;1H.
What are the key properties of 6-cyano-N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]pyridine-3-sulfonamide;hydrochloride?
6-cyano-N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]pyridine-3-sulfonamide;hydrochloride has a molecular weight of 634.16 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]pyridine-3-sulfonamide;hydrochloride is sourced from PubChem (CID 169322902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).