CID 87311759

C25H30AsN4O2 — CID 87311759

IUPAC—
SMILESCN1CCN(CC(=O)Nc2ccc3c(c2)COC([As][C@@H]2CCCc4ccccc42)=N3)CC1
InChIInChI=1S/C25H30AsN4O2/c1-29-11-13-30(14-12-29)16-24(31)27-20-9-10-23-19(15-20)17-32-25(28-23)26-22-8-4-6-18-5-2-3-7-21(18)22/h2-3,5,7,9-10,15,22H,4,6,8,11-14,16-17H2,1H3,(H,27,31)/t22-/m1/s1
InChIKeyJPPWNZTYQAHVLN-JOCHJYFZSA-N
MW493.46 g/mol
LogP3.17
Rot. Bonds5

About CID 87311759

CID 87311759 (PubChem CID 87311759) has the molecular formula C25H30AsN4O2 and a molecular weight of 493.46 g/mol.

Molecular Properties

Compound NameCID 87311759
PubChem CID87311759
Molecular FormulaC25H30AsN4O2
Molecular Weight493.46 g/mol
Exact Mass493.16
IUPAC Name—
SMILESCN1CCN(CC(=O)Nc2ccc3c(c2)COC([As][C@@H]2CCCc4ccccc42)=N3)CC1
InChIInChI=1S/C25H30AsN4O2/c1-29-11-13-30(14-12-29)16-24(31)27-20-9-10-23-19(15-20)17-32-25(28-23)26-22-8-4-6-18-5-2-3-7-21(18)22/h2-3,5,7,9-10,15,22H,4,6,8,11-14,16-17H2,1H3,(H,27,31)/t22-/m1/s1
InChIKeyJPPWNZTYQAHVLN-JOCHJYFZSA-N
XLogP3.17
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2,3-dihydro-1H-indene-1-carboxamide
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N-(2-amino-4H-3,1-benzoxazin-6-yl)acetamide;2,3-dihydro-1H-indene
CID 143951459
N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylacetamide
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N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
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2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
CID 95326159
2-[4-(4-amino-1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 167871087
2-(4-methylpiperazin-1-yl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide
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(1S)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of CID 87311759?
The IUPAC name of CID 87311759 (CID 87311759) is not available.
What is the SMILES notation for CID 87311759?
The canonical SMILES for CID 87311759 is CN1CCN(CC(=O)Nc2ccc3c(c2)COC([As][C@@H]2CCCc4ccccc42)=N3)CC1.
What is the InChIKey of CID 87311759?
The InChIKey is JPPWNZTYQAHVLN-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H30AsN4O2/c1-29-11-13-30(14-12-29)16-24(31)27-20-9-10-23-19(15-20)17-32-25(28-23)26-22-8-4-6-18-5-2-3-7-21(18)22/h2-3,5,7,9-10,15,22H,4,6,8,11-14,16-17H2,1H3,(H,27,31)/t22-/m1/s1.
What are the key properties of CID 87311759?
CID 87311759 has a molecular weight of 493.46 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87311759 is sourced from PubChem (CID 87311759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).