ethene;4-(6-imidazol-1-ylquinazolin-2-yl)phenol

C19H16N4O — CID 143619140

IUPACethene;4-(6-imidazol-1-ylquinazolin-2-yl)phenol
SMILESC=C.Oc1ccc(-c2ncc3cc(-n4ccnc4)ccc3n2)cc1
InChIInChI=1S/C17H12N4O.C2H4/c22-15-4-1-12(2-5-15)17-19-10-13-9-14(3-6-16(13)20-17)21-8-7-18-11-21;1-2/h1-11,22H;1-2H2
InChIKeyGEVZMGJYFGKYTI-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.99
Rot. Bonds2

About ethene;4-(6-imidazol-1-ylquinazolin-2-yl)phenol

ethene;4-(6-imidazol-1-ylquinazolin-2-yl)phenol (PubChem CID 143619140) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is ethene;4-(6-imidazol-1-ylquinazolin-2-yl)phenol.

Molecular Properties

Compound Nameethene;4-(6-imidazol-1-ylquinazolin-2-yl)phenol
PubChem CID143619140
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Nameethene;4-(6-imidazol-1-ylquinazolin-2-yl)phenol
SMILESC=C.Oc1ccc(-c2ncc3cc(-n4ccnc4)ccc3n2)cc1
InChIInChI=1S/C17H12N4O.C2H4/c22-15-4-1-12(2-5-15)17-19-10-13-9-14(3-6-16(13)20-17)21-8-7-18-11-21;1-2/h1-11,22H;1-2H2
InChIKeyGEVZMGJYFGKYTI-UHFFFAOYSA-N
XLogP3.99
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;4-(6-imidazol-1-ylquinazolin-2-yl)phenol?
The IUPAC name of ethene;4-(6-imidazol-1-ylquinazolin-2-yl)phenol (CID 143619140) is ethene;4-(6-imidazol-1-ylquinazolin-2-yl)phenol.
What is the SMILES notation for ethene;4-(6-imidazol-1-ylquinazolin-2-yl)phenol?
The canonical SMILES for ethene;4-(6-imidazol-1-ylquinazolin-2-yl)phenol is C=C.Oc1ccc(-c2ncc3cc(-n4ccnc4)ccc3n2)cc1.
What is the InChIKey of ethene;4-(6-imidazol-1-ylquinazolin-2-yl)phenol?
The InChIKey is GEVZMGJYFGKYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O.C2H4/c22-15-4-1-12(2-5-15)17-19-10-13-9-14(3-6-16(13)20-17)21-8-7-18-11-21;1-2/h1-11,22H;1-2H2.
What are the key properties of ethene;4-(6-imidazol-1-ylquinazolin-2-yl)phenol?
ethene;4-(6-imidazol-1-ylquinazolin-2-yl)phenol has a molecular weight of 316.36 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;4-(6-imidazol-1-ylquinazolin-2-yl)phenol is sourced from PubChem (CID 143619140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).