CID 173470274

C26H24AsCl2N4O3S — CID 173470274

IUPAC—
SMILESCS(=O)(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1[As]c1ccc(N2CCCC(N)C2)nc1
InChIInChI=1S/C26H24AsCl2N4O3S/c1-37(35,36)23-13-31-22-6-4-15(16-10-20(28)26(34)21(29)11-16)9-19(22)25(23)27-17-5-7-24(32-12-17)33-8-2-3-18(30)14-33/h4-7,9-13,18,34H,2-3,8,14,30H2,1H3
InChIKeyDZVKPHBSDRDYLO-UHFFFAOYSA-N
MW618.40 g/mol
LogP3.30
Rot. Bonds5

About CID 173470274

CID 173470274 (PubChem CID 173470274) has the molecular formula C26H24AsCl2N4O3S and a molecular weight of 618.40 g/mol.

Molecular Properties

Compound NameCID 173470274
PubChem CID173470274
Molecular FormulaC26H24AsCl2N4O3S
Molecular Weight618.40 g/mol
Exact Mass617.02
IUPAC Name—
SMILESCS(=O)(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1[As]c1ccc(N2CCCC(N)C2)nc1
InChIInChI=1S/C26H24AsCl2N4O3S/c1-37(35,36)23-13-31-22-6-4-15(16-10-20(28)26(34)21(29)11-16)9-19(22)25(23)27-17-5-7-24(32-12-17)33-8-2-3-18(30)14-33/h4-7,9-13,18,34H,2-3,8,14,30H2,1H3
InChIKeyDZVKPHBSDRDYLO-UHFFFAOYSA-N
XLogP3.30
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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1-[4-[[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]amino]-6-(3,5-dichloro-4-hydroxyphenyl)quinolin-3-yl]propan-1-one
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1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[6-[3-(methylamino)piperidin-1-yl]-3-pyridinyl]amino]quinolin-3-yl]ethanone;trihydrochloride
CID 86692972
2,6-dichloro-4-[3-(cyclopropylmethyl)-4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]quinolin-6-yl]phenol
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2-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]amino]quinolin-3-yl]acetaldehyde
CID 87121052
1-[4-[[6-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]amino]-6-(3-chloro-5-fluoro-4-hydroxyphenyl)-1,5-naphthyridin-3-yl]-2,2,3-trichloropropan-1-one
CID 136927215
2-chloro-4-[4-[(1-cyclooctylpyrazol-4-yl)amino]-3-methylsulfonylquinolin-6-yl]-6-fluorophenol
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1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[4-(piperidin-1-ylmethyl)cyclohexyl]amino]quinolin-3-yl]ethanone
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4-[4-[(4-aminocyclohexyl)amino]-3-methylsulfinylquinolin-6-yl]-2,6-dichlorophenol
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1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine
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1-(6-nitroquinoxalin-2-yl)piperidin-3-amine;hydrochloride
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1-[4-[3-[2-(3-aminopiperidin-1-yl)-4-pyridinyl]-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of CID 173470274?
The IUPAC name of CID 173470274 (CID 173470274) is not available.
What is the SMILES notation for CID 173470274?
The canonical SMILES for CID 173470274 is CS(=O)(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1[As]c1ccc(N2CCCC(N)C2)nc1.
What is the InChIKey of CID 173470274?
The InChIKey is DZVKPHBSDRDYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24AsCl2N4O3S/c1-37(35,36)23-13-31-22-6-4-15(16-10-20(28)26(34)21(29)11-16)9-19(22)25(23)27-17-5-7-24(32-12-17)33-8-2-3-18(30)14-33/h4-7,9-13,18,34H,2-3,8,14,30H2,1H3.
What are the key properties of CID 173470274?
CID 173470274 has a molecular weight of 618.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173470274 is sourced from PubChem (CID 173470274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).