2-[2-[(2-imidazol-1-yl-6-methylquinazolin-4-yl)amino]ethoxy]ethanol

C16H19N5O2 — CID 19392307

IUPAC2-[2-[(2-imidazol-1-yl-6-methylquinazolin-4-yl)amino]ethoxy]ethanol
SMILESCc1ccc2nc(-n3ccnc3)nc(NCCOCCO)c2c1
InChIInChI=1S/C16H19N5O2/c1-12-2-3-14-13(10-12)15(18-5-8-23-9-7-22)20-16(19-14)21-6-4-17-11-21/h2-4,6,10-11,22H,5,7-9H2,1H3,(H,18,19,20)
InChIKeyYQNAWFPKNJKGQJ-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.54
Rot. Bonds7

About 2-[2-[(2-imidazol-1-yl-6-methylquinazolin-4-yl)amino]ethoxy]ethanol

2-[2-[(2-imidazol-1-yl-6-methylquinazolin-4-yl)amino]ethoxy]ethanol (PubChem CID 19392307) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[2-[(2-imidazol-1-yl-6-methylquinazolin-4-yl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(2-imidazol-1-yl-6-methylquinazolin-4-yl)amino]ethoxy]ethanol
PubChem CID19392307
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name2-[2-[(2-imidazol-1-yl-6-methylquinazolin-4-yl)amino]ethoxy]ethanol
SMILESCc1ccc2nc(-n3ccnc3)nc(NCCOCCO)c2c1
InChIInChI=1S/C16H19N5O2/c1-12-2-3-14-13(10-12)15(18-5-8-23-9-7-22)20-16(19-14)21-6-4-17-11-21/h2-4,6,10-11,22H,5,7-9H2,1H3,(H,18,19,20)
InChIKeyYQNAWFPKNJKGQJ-UHFFFAOYSA-N
XLogP1.54
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-imidazol-1-yl-6-methylquinazolin-4-yl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(2-imidazol-1-yl-6-methylquinazolin-4-yl)amino]ethoxy]ethanol (CID 19392307) is 2-[2-[(2-imidazol-1-yl-6-methylquinazolin-4-yl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(2-imidazol-1-yl-6-methylquinazolin-4-yl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(2-imidazol-1-yl-6-methylquinazolin-4-yl)amino]ethoxy]ethanol is Cc1ccc2nc(-n3ccnc3)nc(NCCOCCO)c2c1.
What is the InChIKey of 2-[2-[(2-imidazol-1-yl-6-methylquinazolin-4-yl)amino]ethoxy]ethanol?
The InChIKey is YQNAWFPKNJKGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-12-2-3-14-13(10-12)15(18-5-8-23-9-7-22)20-16(19-14)21-6-4-17-11-21/h2-4,6,10-11,22H,5,7-9H2,1H3,(H,18,19,20).
What are the key properties of 2-[2-[(2-imidazol-1-yl-6-methylquinazolin-4-yl)amino]ethoxy]ethanol?
2-[2-[(2-imidazol-1-yl-6-methylquinazolin-4-yl)amino]ethoxy]ethanol has a molecular weight of 313.36 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-imidazol-1-yl-6-methylquinazolin-4-yl)amino]ethoxy]ethanol is sourced from PubChem (CID 19392307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).