(2-acetamido-6-hydroxyphenyl)arsonic acid;N-quinolin-6-ylquinazolin-4-amine

C25H22AsN5O5 — CID 174346290

IUPAC(2-acetamido-6-hydroxyphenyl)arsonic acid;N-quinolin-6-ylquinazolin-4-amine
SMILESCC(=O)Nc1cccc(O)c1[As](=O)(O)O.c1cnc2ccc(Nc3ncnc4ccccc34)cc2c1
InChIInChI=1S/C17H12N4.C8H10AsNO5/c1-2-6-16-14(5-1)17(20-11-19-16)21-13-7-8-15-12(10-13)4-3-9-18-15;1-5(11)10-6-3-2-4-7(12)8(6)9(13,14)15/h1-11H,(H,19,20,21);2-4,12H,1H3,(H,10,11)(H2,13,14,15)
InChIKeyWMUYEIMQSWXEAB-UHFFFAOYSA-N
MW547.40 g/mol
LogP2.83
Rot. Bonds4

About (2-acetamido-6-hydroxyphenyl)arsonic acid;N-quinolin-6-ylquinazolin-4-amine

(2-acetamido-6-hydroxyphenyl)arsonic acid;N-quinolin-6-ylquinazolin-4-amine (PubChem CID 174346290) has the molecular formula C25H22AsN5O5 and a molecular weight of 547.40 g/mol. Its IUPAC name is (2-acetamido-6-hydroxyphenyl)arsonic acid;N-quinolin-6-ylquinazolin-4-amine.

Molecular Properties

Compound Name(2-acetamido-6-hydroxyphenyl)arsonic acid;N-quinolin-6-ylquinazolin-4-amine
PubChem CID174346290
Molecular FormulaC25H22AsN5O5
Molecular Weight547.40 g/mol
Exact Mass547.08
IUPAC Name(2-acetamido-6-hydroxyphenyl)arsonic acid;N-quinolin-6-ylquinazolin-4-amine
SMILESCC(=O)Nc1cccc(O)c1[As](=O)(O)O.c1cnc2ccc(Nc3ncnc4ccccc34)cc2c1
InChIInChI=1S/C17H12N4.C8H10AsNO5/c1-2-6-16-14(5-1)17(20-11-19-16)21-13-7-8-15-12(10-13)4-3-9-18-15;1-5(11)10-6-3-2-4-7(12)8(6)9(13,14)15/h1-11H,(H,19,20,21);2-4,12H,1H3,(H,10,11)(H2,13,14,15)
InChIKeyWMUYEIMQSWXEAB-UHFFFAOYSA-N
XLogP2.83
TPSA157.56 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.40
LogP ≤ 52.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2-acetamido-6-hydroxyphenyl)arsonic acid;N-quinolin-6-ylquinazolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 19152855
N-naphthalen-2-ylquinazolin-4-amine
CID 110434772
2-(quinolin-6-ylamino)pyridin-3-ol
CID 139352880
1-quinolin-4-yl-3-quinolin-6-ylurea
CID 18475500
2-N-quinolin-6-ylpyridine-2,3-diamine
CID 62634591
4-(quinazolin-4-ylamino)phenol;hydrochloride
CID 2790603
2-methyl-5-(quinazolin-4-ylamino)benzoic acid
CID 63652827
1-[4-(quinolin-6-ylamino)phenyl]ethanone
CID 82536653
6-(1-methylpyrazol-4-yl)-N-quinolin-6-ylquinazolin-4-amine
CID 127045266
N-(3-methylphenyl)quinazolin-4-amine
CID 659954
4-[[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]benzoic acid
CID 19152886
6-N-naphthalen-1-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19145076

Frequently Asked Questions

What is the IUPAC name of (2-acetamido-6-hydroxyphenyl)arsonic acid;N-quinolin-6-ylquinazolin-4-amine?
The IUPAC name of (2-acetamido-6-hydroxyphenyl)arsonic acid;N-quinolin-6-ylquinazolin-4-amine (CID 174346290) is (2-acetamido-6-hydroxyphenyl)arsonic acid;N-quinolin-6-ylquinazolin-4-amine.
What is the SMILES notation for (2-acetamido-6-hydroxyphenyl)arsonic acid;N-quinolin-6-ylquinazolin-4-amine?
The canonical SMILES for (2-acetamido-6-hydroxyphenyl)arsonic acid;N-quinolin-6-ylquinazolin-4-amine is CC(=O)Nc1cccc(O)c1[As](=O)(O)O.c1cnc2ccc(Nc3ncnc4ccccc34)cc2c1.
What is the InChIKey of (2-acetamido-6-hydroxyphenyl)arsonic acid;N-quinolin-6-ylquinazolin-4-amine?
The InChIKey is WMUYEIMQSWXEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4.C8H10AsNO5/c1-2-6-16-14(5-1)17(20-11-19-16)21-13-7-8-15-12(10-13)4-3-9-18-15;1-5(11)10-6-3-2-4-7(12)8(6)9(13,14)15/h1-11H,(H,19,20,21);2-4,12H,1H3,(H,10,11)(H2,13,14,15).
What are the key properties of (2-acetamido-6-hydroxyphenyl)arsonic acid;N-quinolin-6-ylquinazolin-4-amine?
(2-acetamido-6-hydroxyphenyl)arsonic acid;N-quinolin-6-ylquinazolin-4-amine has a molecular weight of 547.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetamido-6-hydroxyphenyl)arsonic acid;N-quinolin-6-ylquinazolin-4-amine is sourced from PubChem (CID 174346290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).