[[amino-(2-hydroxy-3-quinolin-2-yl-1H-indol-5-yl)methylidene]amino] acetate

C20H16N4O3 — CID 136652580

IUPAC[[amino-(2-hydroxy-3-quinolin-2-yl-1H-indol-5-yl)methylidene]amino] acetate
SMILESCC(=O)ON=C(N)c1ccc2[nH]c(O)c(-c3ccc4ccccc4n3)c2c1
InChIInChI=1S/C20H16N4O3/c1-11(25)27-24-19(21)13-7-8-16-14(10-13)18(20(26)23-16)17-9-6-12-4-2-3-5-15(12)22-17/h2-10,23,26H,1H3,(H2,21,24)
InChIKeyWUPDBJCLKWSCGU-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.27
Rot. Bonds3

About [[amino-(2-hydroxy-3-quinolin-2-yl-1H-indol-5-yl)methylidene]amino] acetate

[[amino-(2-hydroxy-3-quinolin-2-yl-1H-indol-5-yl)methylidene]amino] acetate (PubChem CID 136652580) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is [[amino-(2-hydroxy-3-quinolin-2-yl-1H-indol-5-yl)methylidene]amino] acetate.

Molecular Properties

Compound Name[[amino-(2-hydroxy-3-quinolin-2-yl-1H-indol-5-yl)methylidene]amino] acetate
PubChem CID136652580
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name[[amino-(2-hydroxy-3-quinolin-2-yl-1H-indol-5-yl)methylidene]amino] acetate
SMILESCC(=O)ON=C(N)c1ccc2[nH]c(O)c(-c3ccc4ccccc4n3)c2c1
InChIInChI=1S/C20H16N4O3/c1-11(25)27-24-19(21)13-7-8-16-14(10-13)18(20(26)23-16)17-9-6-12-4-2-3-5-15(12)22-17/h2-10,23,26H,1H3,(H2,21,24)
InChIKeyWUPDBJCLKWSCGU-UHFFFAOYSA-N
XLogP3.27
TPSA113.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[amino-(2-hydroxy-3-quinolin-2-yl-1H-indol-5-yl)methylidene]amino] acetate?
The IUPAC name of [[amino-(2-hydroxy-3-quinolin-2-yl-1H-indol-5-yl)methylidene]amino] acetate (CID 136652580) is [[amino-(2-hydroxy-3-quinolin-2-yl-1H-indol-5-yl)methylidene]amino] acetate.
What is the SMILES notation for [[amino-(2-hydroxy-3-quinolin-2-yl-1H-indol-5-yl)methylidene]amino] acetate?
The canonical SMILES for [[amino-(2-hydroxy-3-quinolin-2-yl-1H-indol-5-yl)methylidene]amino] acetate is CC(=O)ON=C(N)c1ccc2[nH]c(O)c(-c3ccc4ccccc4n3)c2c1.
What is the InChIKey of [[amino-(2-hydroxy-3-quinolin-2-yl-1H-indol-5-yl)methylidene]amino] acetate?
The InChIKey is WUPDBJCLKWSCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-11(25)27-24-19(21)13-7-8-16-14(10-13)18(20(26)23-16)17-9-6-12-4-2-3-5-15(12)22-17/h2-10,23,26H,1H3,(H2,21,24).
What are the key properties of [[amino-(2-hydroxy-3-quinolin-2-yl-1H-indol-5-yl)methylidene]amino] acetate?
[[amino-(2-hydroxy-3-quinolin-2-yl-1H-indol-5-yl)methylidene]amino] acetate has a molecular weight of 360.37 g/mol, XLogP of 3.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[amino-(2-hydroxy-3-quinolin-2-yl-1H-indol-5-yl)methylidene]amino] acetate is sourced from PubChem (CID 136652580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).