4-[(quinazolin-2-ylamino)methyl]phenol

C15H13N3O — CID 114789330

IUPAC4-[(quinazolin-2-ylamino)methyl]phenol
SMILESOc1ccc(CNc2ncc3ccccc3n2)cc1
InChIInChI=1S/C15H13N3O/c19-13-7-5-11(6-8-13)9-16-15-17-10-12-3-1-2-4-14(12)18-15/h1-8,10,19H,9H2,(H,16,17,18)
InChIKeyQWUIIHWWJMPRBW-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.95
Rot. Bonds3

About 4-[(quinazolin-2-ylamino)methyl]phenol

4-[(quinazolin-2-ylamino)methyl]phenol (PubChem CID 114789330) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-[(quinazolin-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name4-[(quinazolin-2-ylamino)methyl]phenol
PubChem CID114789330
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name4-[(quinazolin-2-ylamino)methyl]phenol
SMILESOc1ccc(CNc2ncc3ccccc3n2)cc1
InChIInChI=1S/C15H13N3O/c19-13-7-5-11(6-8-13)9-16-15-17-10-12-3-1-2-4-14(12)18-15/h1-8,10,19H,9H2,(H,16,17,18)
InChIKeyQWUIIHWWJMPRBW-UHFFFAOYSA-N
XLogP2.95
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-aminophenyl)methyl]quinazolin-2-amine
CID 114789553
N-[(4-propan-2-ylphenyl)methyl]quinazolin-2-amine
CID 114789025
N-[(4-nitrophenyl)methyl]quinazolin-2-amine
CID 114788894
N-(2H-benzotriazol-5-ylmethyl)quinazolin-2-amine
CID 167884841
N-(furan-3-ylmethyl)quinazolin-2-amine
CID 114789324
N-[(4-fluoro-3,5-dimethylphenyl)methyl]quinazolin-2-amine
CID 114789197
N'-quinazolin-2-ylethane-1,2-diamine
CID 114788771
1-(quinazolin-2-ylamino)propan-2-ol
CID 114788870
3-(quinazolin-2-ylamino)propane-1,2-diol
CID 114789175
N',N'-di(propan-2-yl)-N-quinazolin-2-ylethane-1,2-diamine
CID 114788824
N-[(2-methoxyphenyl)methyl]quinazolin-2-amine
CID 114788826
N-propan-2-yl-2-(quinazolin-2-ylamino)acetamide
CID 114788884

Frequently Asked Questions

What is the IUPAC name of 4-[(quinazolin-2-ylamino)methyl]phenol?
The IUPAC name of 4-[(quinazolin-2-ylamino)methyl]phenol (CID 114789330) is 4-[(quinazolin-2-ylamino)methyl]phenol.
What is the SMILES notation for 4-[(quinazolin-2-ylamino)methyl]phenol?
The canonical SMILES for 4-[(quinazolin-2-ylamino)methyl]phenol is Oc1ccc(CNc2ncc3ccccc3n2)cc1.
What is the InChIKey of 4-[(quinazolin-2-ylamino)methyl]phenol?
The InChIKey is QWUIIHWWJMPRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c19-13-7-5-11(6-8-13)9-16-15-17-10-12-3-1-2-4-14(12)18-15/h1-8,10,19H,9H2,(H,16,17,18).
What are the key properties of 4-[(quinazolin-2-ylamino)methyl]phenol?
4-[(quinazolin-2-ylamino)methyl]phenol has a molecular weight of 251.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(quinazolin-2-ylamino)methyl]phenol is sourced from PubChem (CID 114789330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).