8-amino-N-methylquinoline-5-sulfonamide;2,3-dimethylquinolin-8-amine;6-methoxy-5-nitroquinolin-8-amine;6-nitroquinolin-8-amine;6-(trifluoromethyl)quinolin-8-amine

C50H46F3N13O7S — CID 160801435

IUPAC8-amino-N-methylquinoline-5-sulfonamide;2,3-dimethylquinolin-8-amine;6-methoxy-5-nitroquinolin-8-amine;6-nitroquinolin-8-amine;6-(trifluoromethyl)quinolin-8-amine
SMILESCNS(=O)(=O)c1ccc(N)c2ncccc12.COc1cc(N)c2ncccc2c1[N+](=O)[O-].Cc1cc2cccc(N)c2nc1C.Nc1cc(C(F)(F)F)cc2cccnc12.Nc1cc([N+](=O)[O-])cc2cccnc12
InChIInChI=1S/C11H12N2.C10H7F3N2.C10H9N3O3.C10H11N3O2S.C9H7N3O2/c1-7-6-9-4-3-5-10(12)11(9)13-8(7)2;11-10(12,13)7-4-6-2-1-3-15-9(6)8(14)5-7;1-16-8-5-7(11)9-6(3-2-4-12-9)10(8)13(14)15;1-12-16(14,15)9-5-4-8(11)10-7(9)3-2-6-13-10;10-8-5-7(12(13)14)4-6-2-1-3-11-9(6)8/h3-6H,12H2,1-2H3;1-5H,14H2;2-5H,11H2,1H3;2-6,12H,11H2,1H3;1-5H,10H2
InChIKeySDCVDNUOKNOZTB-UHFFFAOYSA-N
MW1030.06 g/mol
LogP9.45
Rot. Bonds5

About 8-amino-N-methylquinoline-5-sulfonamide;2,3-dimethylquinolin-8-amine;6-methoxy-5-nitroquinolin-8-amine;6-nitroquinolin-8-amine;6-(trifluoromethyl)quinolin-8-amine

8-amino-N-methylquinoline-5-sulfonamide;2,3-dimethylquinolin-8-amine;6-methoxy-5-nitroquinolin-8-amine;6-nitroquinolin-8-amine;6-(trifluoromethyl)quinolin-8-amine (PubChem CID 160801435) has the molecular formula C50H46F3N13O7S and a molecular weight of 1030.06 g/mol. Its IUPAC name is 8-amino-N-methylquinoline-5-sulfonamide;2,3-dimethylquinolin-8-amine;6-methoxy-5-nitroquinolin-8-amine;6-nitroquinolin-8-amine;6-(trifluoromethyl)quinolin-8-amine.

Molecular Properties

Compound Name8-amino-N-methylquinoline-5-sulfonamide;2,3-dimethylquinolin-8-amine;6-methoxy-5-nitroquinolin-8-amine;6-nitroquinolin-8-amine;6-(trifluoromethyl)quinolin-8-amine
PubChem CID160801435
Molecular FormulaC50H46F3N13O7S
Molecular Weight1030.06 g/mol
Exact Mass1029.33
IUPAC Name8-amino-N-methylquinoline-5-sulfonamide;2,3-dimethylquinolin-8-amine;6-methoxy-5-nitroquinolin-8-amine;6-nitroquinolin-8-amine;6-(trifluoromethyl)quinolin-8-amine
SMILESCNS(=O)(=O)c1ccc(N)c2ncccc12.COc1cc(N)c2ncccc2c1[N+](=O)[O-].Cc1cc2cccc(N)c2nc1C.Nc1cc(C(F)(F)F)cc2cccnc12.Nc1cc([N+](=O)[O-])cc2cccnc12
InChIInChI=1S/C11H12N2.C10H7F3N2.C10H9N3O3.C10H11N3O2S.C9H7N3O2/c1-7-6-9-4-3-5-10(12)11(9)13-8(7)2;11-10(12,13)7-4-6-2-1-3-15-9(6)8(14)5-7;1-16-8-5-7(11)9-6(3-2-4-12-9)10(8)13(14)15;1-12-16(14,15)9-5-4-8(11)10-7(9)3-2-6-13-10;10-8-5-7(12(13)14)4-6-2-1-3-11-9(6)8/h3-6H,12H2,1-2H3;1-5H,14H2;2-5H,11H2,1H3;2-6,12H,11H2,1H3;1-5H,10H2
InChIKeySDCVDNUOKNOZTB-UHFFFAOYSA-N
XLogP9.45
TPSA336.23 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds5
Heavy Atoms74
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001030.06
LogP ≤ 59.45
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 8-amino-N-methylquinoline-5-sulfonamide;2,3-dimethylquinolin-8-amine;6-methoxy-5-nitroquinolin-8-amine;6-nitroquinolin-8-amine;6-(trifluoromethyl)quinolin-8-amine with MolForge

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Related Compounds

1-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;N-(5-morpholin-4-ylquinolin-8-yl)benzenesulfonamide
CID 158528441

Frequently Asked Questions

What is the IUPAC name of 8-amino-N-methylquinoline-5-sulfonamide;2,3-dimethylquinolin-8-amine;6-methoxy-5-nitroquinolin-8-amine;6-nitroquinolin-8-amine;6-(trifluoromethyl)quinolin-8-amine?
The IUPAC name of 8-amino-N-methylquinoline-5-sulfonamide;2,3-dimethylquinolin-8-amine;6-methoxy-5-nitroquinolin-8-amine;6-nitroquinolin-8-amine;6-(trifluoromethyl)quinolin-8-amine (CID 160801435) is 8-amino-N-methylquinoline-5-sulfonamide;2,3-dimethylquinolin-8-amine;6-methoxy-5-nitroquinolin-8-amine;6-nitroquinolin-8-amine;6-(trifluoromethyl)quinolin-8-amine.
What is the SMILES notation for 8-amino-N-methylquinoline-5-sulfonamide;2,3-dimethylquinolin-8-amine;6-methoxy-5-nitroquinolin-8-amine;6-nitroquinolin-8-amine;6-(trifluoromethyl)quinolin-8-amine?
The canonical SMILES for 8-amino-N-methylquinoline-5-sulfonamide;2,3-dimethylquinolin-8-amine;6-methoxy-5-nitroquinolin-8-amine;6-nitroquinolin-8-amine;6-(trifluoromethyl)quinolin-8-amine is CNS(=O)(=O)c1ccc(N)c2ncccc12.COc1cc(N)c2ncccc2c1[N+](=O)[O-].Cc1cc2cccc(N)c2nc1C.Nc1cc(C(F)(F)F)cc2cccnc12.Nc1cc([N+](=O)[O-])cc2cccnc12.
What is the InChIKey of 8-amino-N-methylquinoline-5-sulfonamide;2,3-dimethylquinolin-8-amine;6-methoxy-5-nitroquinolin-8-amine;6-nitroquinolin-8-amine;6-(trifluoromethyl)quinolin-8-amine?
The InChIKey is SDCVDNUOKNOZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.C10H7F3N2.C10H9N3O3.C10H11N3O2S.C9H7N3O2/c1-7-6-9-4-3-5-10(12)11(9)13-8(7)2;11-10(12,13)7-4-6-2-1-3-15-9(6)8(14)5-7;1-16-8-5-7(11)9-6(3-2-4-12-9)10(8)13(14)15;1-12-16(14,15)9-5-4-8(11)10-7(9)3-2-6-13-10;10-8-5-7(12(13)14)4-6-2-1-3-11-9(6)8/h3-6H,12H2,1-2H3;1-5H,14H2;2-5H,11H2,1H3;2-6,12H,11H2,1H3;1-5H,10H2.
What are the key properties of 8-amino-N-methylquinoline-5-sulfonamide;2,3-dimethylquinolin-8-amine;6-methoxy-5-nitroquinolin-8-amine;6-nitroquinolin-8-amine;6-(trifluoromethyl)quinolin-8-amine?
8-amino-N-methylquinoline-5-sulfonamide;2,3-dimethylquinolin-8-amine;6-methoxy-5-nitroquinolin-8-amine;6-nitroquinolin-8-amine;6-(trifluoromethyl)quinolin-8-amine has a molecular weight of 1030.06 g/mol, XLogP of 9.45, 5 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-N-methylquinoline-5-sulfonamide;2,3-dimethylquinolin-8-amine;6-methoxy-5-nitroquinolin-8-amine;6-nitroquinolin-8-amine;6-(trifluoromethyl)quinolin-8-amine is sourced from PubChem (CID 160801435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).