4-([1,3]dioxolo[4,5-g]quinazolin-8-ylamino)phenol

C15H11N3O3 — CID 19963156

IUPAC4-([1,3]dioxolo[4,5-g]quinazolin-8-ylamino)phenol
SMILESOc1ccc(Nc2ncnc3cc4c(cc23)OCO4)cc1
InChIInChI=1S/C15H11N3O3/c19-10-3-1-9(2-4-10)18-15-11-5-13-14(21-8-20-13)6-12(11)16-7-17-15/h1-7,19H,8H2,(H,16,17,18)
InChIKeyCRZPVSMPJCPEPP-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.81
Rot. Bonds2

About 4-([1,3]dioxolo[4,5-g]quinazolin-8-ylamino)phenol

4-([1,3]dioxolo[4,5-g]quinazolin-8-ylamino)phenol (PubChem CID 19963156) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 4-([1,3]dioxolo[4,5-g]quinazolin-8-ylamino)phenol.

Molecular Properties

Compound Name4-([1,3]dioxolo[4,5-g]quinazolin-8-ylamino)phenol
PubChem CID19963156
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name4-([1,3]dioxolo[4,5-g]quinazolin-8-ylamino)phenol
SMILESOc1ccc(Nc2ncnc3cc4c(cc23)OCO4)cc1
InChIInChI=1S/C15H11N3O3/c19-10-3-1-9(2-4-10)18-15-11-5-13-14(21-8-20-13)6-12(11)16-7-17-15/h1-7,19H,8H2,(H,16,17,18)
InChIKeyCRZPVSMPJCPEPP-UHFFFAOYSA-N
XLogP2.81
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 66554700
4-[(6,7-dimethylquinazolin-4-yl)amino]phenol
CID 18685574
N-(3-ethynylphenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine;hydrochloride
CID 18925061
4-(quinazolin-4-ylamino)phenol;hydrochloride
CID 2790603
N-(3-chloro-2-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 138513770
N-(1-benzylindol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine;hydrochloride
CID 67719057
N-(1,3-benzodioxol-5-ylmethyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 10448853
N-(3-chloro-4-fluorophenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amine
CID 10216482
4-N,6-N-bis(1,3-benzodioxol-5-yl)pyrimidine-4,5,6-triamine
CID 22542016
4-anilinoquinazolin-6-ol;ethane
CID 91520479
6,6,7,7-tetradeuterio-N-(3-ethynylphenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amine
CID 73053620
6-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)quinazolin-4-amine
CID 69169474

Frequently Asked Questions

What is the IUPAC name of 4-([1,3]dioxolo[4,5-g]quinazolin-8-ylamino)phenol?
The IUPAC name of 4-([1,3]dioxolo[4,5-g]quinazolin-8-ylamino)phenol (CID 19963156) is 4-([1,3]dioxolo[4,5-g]quinazolin-8-ylamino)phenol.
What is the SMILES notation for 4-([1,3]dioxolo[4,5-g]quinazolin-8-ylamino)phenol?
The canonical SMILES for 4-([1,3]dioxolo[4,5-g]quinazolin-8-ylamino)phenol is Oc1ccc(Nc2ncnc3cc4c(cc23)OCO4)cc1.
What is the InChIKey of 4-([1,3]dioxolo[4,5-g]quinazolin-8-ylamino)phenol?
The InChIKey is CRZPVSMPJCPEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c19-10-3-1-9(2-4-10)18-15-11-5-13-14(21-8-20-13)6-12(11)16-7-17-15/h1-7,19H,8H2,(H,16,17,18).
What are the key properties of 4-([1,3]dioxolo[4,5-g]quinazolin-8-ylamino)phenol?
4-([1,3]dioxolo[4,5-g]quinazolin-8-ylamino)phenol has a molecular weight of 281.27 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1,3]dioxolo[4,5-g]quinazolin-8-ylamino)phenol is sourced from PubChem (CID 19963156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).