zinc;naphthalene-1,5-disulfonate;quinolin-8-amine

C19H14N2O6S2Zn — CID 175009147

IUPACzinc;naphthalene-1,5-disulfonate;quinolin-8-amine
SMILESNc1cccc2cccnc12.O=S(=O)([O-])c1cccc2c(S(=O)(=O)[O-])cccc12.[Zn+2]
InChIInChI=1S/C10H8O6S2.C9H8N2.Zn/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;10-8-5-1-3-7-4-2-6-11-9(7)8;/h1-6H,(H,11,12,13)(H,14,15,16);1-6H,10H2;/q;;+2/p-2
InChIKeyAUHYOXMMUSKQPD-UHFFFAOYSA-L
MW495.85 g/mol
LogP2.46
Rot. Bonds2

About zinc;naphthalene-1,5-disulfonate;quinolin-8-amine

zinc;naphthalene-1,5-disulfonate;quinolin-8-amine (PubChem CID 175009147) has the molecular formula C19H14N2O6S2Zn and a molecular weight of 495.85 g/mol. Its IUPAC name is zinc;naphthalene-1,5-disulfonate;quinolin-8-amine.

Molecular Properties

Compound Namezinc;naphthalene-1,5-disulfonate;quinolin-8-amine
PubChem CID175009147
Molecular FormulaC19H14N2O6S2Zn
Molecular Weight495.85 g/mol
Exact Mass493.96
IUPAC Namezinc;naphthalene-1,5-disulfonate;quinolin-8-amine
SMILESNc1cccc2cccnc12.O=S(=O)([O-])c1cccc2c(S(=O)(=O)[O-])cccc12.[Zn+2]
InChIInChI=1S/C10H8O6S2.C9H8N2.Zn/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;10-8-5-1-3-7-4-2-6-11-9(7)8;/h1-6H,(H,11,12,13)(H,14,15,16);1-6H,10H2;/q;;+2/p-2
InChIKeyAUHYOXMMUSKQPD-UHFFFAOYSA-L
XLogP2.46
TPSA153.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.85
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

Intepirdine
CID 11256720
N-(Quinolin-8-yl)benzenesulfonamide
CID 161167
8-(p-Toluenesulfonylamino)quinoline
CID 82533
2-Amino-N-quinolin-8-yl-benzenesulfonamide
CID 1070159
N-[5-(pyridin-3-yl)quinolin-8-yl]-3-(trifluoromethyl)benzene-1-sulfonamide
CID 118873492
5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
CID 659101
9-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
CID 16759925
4-nitro-N-(quinolin-8-yl)benzenesulfonamide
CID 4453505
2,4,6-trimethyl-N-(quinolin-8-yl)benzene-1-sulfonamide
CID 739450
3,5-difluoro-N-(quinolin-8-yl)benzene-1-sulfonamide
CID 8028189
4-Amino-3-[2-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]diazenyl]-1-naphthalenesulfonic acid, monosodium salt
CID 56955396
9-fluoro-5H-6-thia-4,5-diaza-chrysene 6,6-dioxide
CID 16759921

Frequently Asked Questions

What is the IUPAC name of zinc;naphthalene-1,5-disulfonate;quinolin-8-amine?
The IUPAC name of zinc;naphthalene-1,5-disulfonate;quinolin-8-amine (CID 175009147) is zinc;naphthalene-1,5-disulfonate;quinolin-8-amine.
What is the SMILES notation for zinc;naphthalene-1,5-disulfonate;quinolin-8-amine?
The canonical SMILES for zinc;naphthalene-1,5-disulfonate;quinolin-8-amine is Nc1cccc2cccnc12.O=S(=O)([O-])c1cccc2c(S(=O)(=O)[O-])cccc12.[Zn+2].
What is the InChIKey of zinc;naphthalene-1,5-disulfonate;quinolin-8-amine?
The InChIKey is AUHYOXMMUSKQPD-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H8O6S2.C9H8N2.Zn/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;10-8-5-1-3-7-4-2-6-11-9(7)8;/h1-6H,(H,11,12,13)(H,14,15,16);1-6H,10H2;/q;;+2/p-2.
What are the key properties of zinc;naphthalene-1,5-disulfonate;quinolin-8-amine?
zinc;naphthalene-1,5-disulfonate;quinolin-8-amine has a molecular weight of 495.85 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;naphthalene-1,5-disulfonate;quinolin-8-amine is sourced from PubChem (CID 175009147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).