(Z)-[amino-(6-quinolin-6-ylpyrimidin-4-yl)methylidene]carbamic acid

C15H11N5O2 — CID 144519007

IUPAC(Z)-[amino-(6-quinolin-6-ylpyrimidin-4-yl)methylidene]carbamic acid
SMILESN/C(=N\C(=O)O)c1cc(-c2ccc3ncccc3c2)ncn1
InChIInChI=1S/C15H11N5O2/c16-14(20-15(21)22)13-7-12(18-8-19-13)10-3-4-11-9(6-10)2-1-5-17-11/h1-8H,(H2,16,20)(H,21,22)
InChIKeyIIZGFKQEXUETAA-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.08
Rot. Bonds2

About (Z)-[amino-(6-quinolin-6-ylpyrimidin-4-yl)methylidene]carbamic acid

(Z)-[amino-(6-quinolin-6-ylpyrimidin-4-yl)methylidene]carbamic acid (PubChem CID 144519007) has the molecular formula C15H11N5O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is (Z)-[amino-(6-quinolin-6-ylpyrimidin-4-yl)methylidene]carbamic acid.

Molecular Properties

Compound Name(Z)-[amino-(6-quinolin-6-ylpyrimidin-4-yl)methylidene]carbamic acid
PubChem CID144519007
Molecular FormulaC15H11N5O2
Molecular Weight293.29 g/mol
Exact Mass293.09
IUPAC Name(Z)-[amino-(6-quinolin-6-ylpyrimidin-4-yl)methylidene]carbamic acid
SMILESN/C(=N\C(=O)O)c1cc(-c2ccc3ncccc3c2)ncn1
InChIInChI=1S/C15H11N5O2/c16-14(20-15(21)22)13-7-12(18-8-19-13)10-3-4-11-9(6-10)2-1-5-17-11/h1-8H,(H2,16,20)(H,21,22)
InChIKeyIIZGFKQEXUETAA-UHFFFAOYSA-N
XLogP2.08
TPSA114.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-[amino-(6-quinolin-6-ylpyrimidin-4-yl)methylidene]carbamic acid?
The IUPAC name of (Z)-[amino-(6-quinolin-6-ylpyrimidin-4-yl)methylidene]carbamic acid (CID 144519007) is (Z)-[amino-(6-quinolin-6-ylpyrimidin-4-yl)methylidene]carbamic acid.
What is the SMILES notation for (Z)-[amino-(6-quinolin-6-ylpyrimidin-4-yl)methylidene]carbamic acid?
The canonical SMILES for (Z)-[amino-(6-quinolin-6-ylpyrimidin-4-yl)methylidene]carbamic acid is N/C(=N\C(=O)O)c1cc(-c2ccc3ncccc3c2)ncn1.
What is the InChIKey of (Z)-[amino-(6-quinolin-6-ylpyrimidin-4-yl)methylidene]carbamic acid?
The InChIKey is IIZGFKQEXUETAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O2/c16-14(20-15(21)22)13-7-12(18-8-19-13)10-3-4-11-9(6-10)2-1-5-17-11/h1-8H,(H2,16,20)(H,21,22).
What are the key properties of (Z)-[amino-(6-quinolin-6-ylpyrimidin-4-yl)methylidene]carbamic acid?
(Z)-[amino-(6-quinolin-6-ylpyrimidin-4-yl)methylidene]carbamic acid has a molecular weight of 293.29 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[amino-(6-quinolin-6-ylpyrimidin-4-yl)methylidene]carbamic acid is sourced from PubChem (CID 144519007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).