CID 87519086

C25H20AsN5O — CID 87519086

IUPAC—
SMILESCc1ccc(Oc2ccc(Nc3ncnc4cc(-c5cccc([As])c5)[nH]c34)cc2C)cn1
InChIInChI=1S/C25H20AsN5O/c1-15-10-19(7-9-23(15)32-20-8-6-16(2)27-13-20)30-25-24-22(28-14-29-25)12-21(31-24)17-4-3-5-18(26)11-17/h3-14,31H,1-2H3,(H,28,29,30)
InChIKeyTYIMKBGQIBFBTJ-UHFFFAOYSA-N
MW481.39 g/mol
LogP4.97
Rot. Bonds5

About CID 87519086

CID 87519086 (PubChem CID 87519086) has the molecular formula C25H20AsN5O and a molecular weight of 481.39 g/mol.

Molecular Properties

Compound NameCID 87519086
PubChem CID87519086
Molecular FormulaC25H20AsN5O
Molecular Weight481.39 g/mol
Exact Mass481.09
IUPAC Name—
SMILESCc1ccc(Oc2ccc(Nc3ncnc4cc(-c5cccc([As])c5)[nH]c34)cc2C)cn1
InChIInChI=1S/C25H20AsN5O/c1-15-10-19(7-9-23(15)32-20-8-6-16(2)27-13-20)30-25-24-22(28-14-29-25)12-21(31-24)17-4-3-5-18(26)11-17/h3-14,31H,1-2H3,(H,28,29,30)
InChIKeyTYIMKBGQIBFBTJ-UHFFFAOYSA-N
XLogP4.97
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.39
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-iodo-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;hydrochloride
CID 66623307
[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl] propanoate
CID 90891540
6-(3-aminophenyl)-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 69087263
6-[(6-methyl-3-pyridinyl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 58140156
6-chloro-5-methyl-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]pyrrolo[3,2-d]pyrimidin-4-amine
CID 59453247
6-[(E)-3-aminoprop-1-enyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine
CID 22484234
2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]propanamide
CID 69461106
6-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;ethane;methanol
CID 143005182
N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-5-[2-[methyl(prop-1-en-2-yl)amino]ethoxy]quinazolin-4-amine
CID 143054061
N,N-dimethyl-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide
CID 73070143
2-methoxy-N-[(E)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]ethenyl]acetamide
CID 102251503
N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-2-amine
CID 91195722

Frequently Asked Questions

What is the IUPAC name of CID 87519086?
The IUPAC name of CID 87519086 (CID 87519086) is not available.
What is the SMILES notation for CID 87519086?
The canonical SMILES for CID 87519086 is Cc1ccc(Oc2ccc(Nc3ncnc4cc(-c5cccc([As])c5)[nH]c34)cc2C)cn1.
What is the InChIKey of CID 87519086?
The InChIKey is TYIMKBGQIBFBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20AsN5O/c1-15-10-19(7-9-23(15)32-20-8-6-16(2)27-13-20)30-25-24-22(28-14-29-25)12-21(31-24)17-4-3-5-18(26)11-17/h3-14,31H,1-2H3,(H,28,29,30).
What are the key properties of CID 87519086?
CID 87519086 has a molecular weight of 481.39 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87519086 is sourced from PubChem (CID 87519086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).