3-(quinazolin-4-ylamino)phenol

C14H11N3O — CID 693194

IUPAC3-(quinazolin-4-ylamino)phenol
SMILESOc1cccc(Nc2ncnc3ccccc23)c1
InChIInChI=1S/C14H11N3O/c18-11-5-3-4-10(8-11)17-14-12-6-1-2-7-13(12)15-9-16-14/h1-9,18H,(H,15,16,17)
InChIKeyBLCNTDFTVUAJKY-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.08
Rot. Bonds2

About 3-(quinazolin-4-ylamino)phenol

3-(quinazolin-4-ylamino)phenol (PubChem CID 693194) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-(quinazolin-4-ylamino)phenol.

Molecular Properties

Compound Name3-(quinazolin-4-ylamino)phenol
PubChem CID693194
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name3-(quinazolin-4-ylamino)phenol
SMILESOc1cccc(Nc2ncnc3ccccc23)c1
InChIInChI=1S/C14H11N3O/c18-11-5-3-4-10(8-11)17-14-12-6-1-2-7-13(12)15-9-16-14/h1-9,18H,(H,15,16,17)
InChIKeyBLCNTDFTVUAJKY-UHFFFAOYSA-N
XLogP3.08
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(quinazolin-4-ylamino)phenol?
The IUPAC name of 3-(quinazolin-4-ylamino)phenol (CID 693194) is 3-(quinazolin-4-ylamino)phenol.
What is the SMILES notation for 3-(quinazolin-4-ylamino)phenol?
The canonical SMILES for 3-(quinazolin-4-ylamino)phenol is Oc1cccc(Nc2ncnc3ccccc23)c1.
What is the InChIKey of 3-(quinazolin-4-ylamino)phenol?
The InChIKey is BLCNTDFTVUAJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c18-11-5-3-4-10(8-11)17-14-12-6-1-2-7-13(12)15-9-16-14/h1-9,18H,(H,15,16,17).
What are the key properties of 3-(quinazolin-4-ylamino)phenol?
3-(quinazolin-4-ylamino)phenol has a molecular weight of 237.26 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinazolin-4-ylamino)phenol is sourced from PubChem (CID 693194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).