2-phenyl-5,6,7,8-tetrahydroquinazolin-6-ol

C14H14N2O — CID 57368464

IUPAC2-phenyl-5,6,7,8-tetrahydroquinazolin-6-ol
SMILESOC1CCc2nc(-c3ccccc3)ncc2C1
InChIInChI=1S/C14H14N2O/c17-12-6-7-13-11(8-12)9-15-14(16-13)10-4-2-1-3-5-10/h1-5,9,12,17H,6-8H2
InChIKeyQQARIUSDOLZRQP-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.99
Rot. Bonds1

About 2-phenyl-5,6,7,8-tetrahydroquinazolin-6-ol

2-phenyl-5,6,7,8-tetrahydroquinazolin-6-ol (PubChem CID 57368464) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-phenyl-5,6,7,8-tetrahydroquinazolin-6-ol.

Molecular Properties

Compound Name2-phenyl-5,6,7,8-tetrahydroquinazolin-6-ol
PubChem CID57368464
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name2-phenyl-5,6,7,8-tetrahydroquinazolin-6-ol
SMILESOC1CCc2nc(-c3ccccc3)ncc2C1
InChIInChI=1S/C14H14N2O/c17-12-6-7-13-11(8-12)9-15-14(16-13)10-4-2-1-3-5-10/h1-5,9,12,17H,6-8H2
InChIKeyQQARIUSDOLZRQP-UHFFFAOYSA-N
XLogP1.99
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5,6,7,8-tetrahydroquinazolin-6-ol?
The IUPAC name of 2-phenyl-5,6,7,8-tetrahydroquinazolin-6-ol (CID 57368464) is 2-phenyl-5,6,7,8-tetrahydroquinazolin-6-ol.
What is the SMILES notation for 2-phenyl-5,6,7,8-tetrahydroquinazolin-6-ol?
The canonical SMILES for 2-phenyl-5,6,7,8-tetrahydroquinazolin-6-ol is OC1CCc2nc(-c3ccccc3)ncc2C1.
What is the InChIKey of 2-phenyl-5,6,7,8-tetrahydroquinazolin-6-ol?
The InChIKey is QQARIUSDOLZRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c17-12-6-7-13-11(8-12)9-15-14(16-13)10-4-2-1-3-5-10/h1-5,9,12,17H,6-8H2.
What are the key properties of 2-phenyl-5,6,7,8-tetrahydroquinazolin-6-ol?
2-phenyl-5,6,7,8-tetrahydroquinazolin-6-ol has a molecular weight of 226.28 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5,6,7,8-tetrahydroquinazolin-6-ol is sourced from PubChem (CID 57368464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).