2-[[(2S)-2-amino-2H-quinazolin-3-yl]methyl]phenol

C15H15N3O — CID 124672727

IUPAC2-[[(2S)-2-amino-2H-quinazolin-3-yl]methyl]phenol
SMILESN[C@@H]1N=c2ccccc2=CN1Cc1ccccc1O
InChIInChI=1S/C15H15N3O/c16-15-17-13-7-3-1-5-11(13)9-18(15)10-12-6-2-4-8-14(12)19/h1-9,15,19H,10,16H2/t15-/m1/s1
InChIKeyZJPKNGBLMLXADB-OAHLLOKOSA-N
MW253.31 g/mol
LogP0.51
Rot. Bonds2

About 2-[[(2S)-2-amino-2H-quinazolin-3-yl]methyl]phenol

2-[[(2S)-2-amino-2H-quinazolin-3-yl]methyl]phenol (PubChem CID 124672727) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[[(2S)-2-amino-2H-quinazolin-3-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[(2S)-2-amino-2H-quinazolin-3-yl]methyl]phenol
PubChem CID124672727
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-[[(2S)-2-amino-2H-quinazolin-3-yl]methyl]phenol
SMILESN[C@@H]1N=c2ccccc2=CN1Cc1ccccc1O
InChIInChI=1S/C15H15N3O/c16-15-17-13-7-3-1-5-11(13)9-18(15)10-12-6-2-4-8-14(12)19/h1-9,15,19H,10,16H2/t15-/m1/s1
InChIKeyZJPKNGBLMLXADB-OAHLLOKOSA-N
XLogP0.51
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-amino-2H-quinazolin-3-yl]methyl]phenol?
The IUPAC name of 2-[[(2S)-2-amino-2H-quinazolin-3-yl]methyl]phenol (CID 124672727) is 2-[[(2S)-2-amino-2H-quinazolin-3-yl]methyl]phenol.
What is the SMILES notation for 2-[[(2S)-2-amino-2H-quinazolin-3-yl]methyl]phenol?
The canonical SMILES for 2-[[(2S)-2-amino-2H-quinazolin-3-yl]methyl]phenol is N[C@@H]1N=c2ccccc2=CN1Cc1ccccc1O.
What is the InChIKey of 2-[[(2S)-2-amino-2H-quinazolin-3-yl]methyl]phenol?
The InChIKey is ZJPKNGBLMLXADB-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H15N3O/c16-15-17-13-7-3-1-5-11(13)9-18(15)10-12-6-2-4-8-14(12)19/h1-9,15,19H,10,16H2/t15-/m1/s1.
What are the key properties of 2-[[(2S)-2-amino-2H-quinazolin-3-yl]methyl]phenol?
2-[[(2S)-2-amino-2H-quinazolin-3-yl]methyl]phenol has a molecular weight of 253.31 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-amino-2H-quinazolin-3-yl]methyl]phenol is sourced from PubChem (CID 124672727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).