4-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol

C14H11N5O2 — CID 135502637

IUPAC4-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol
SMILESOc1ccc(Nc2ncc3c(n2)-c2nonc2CC3)cc1
InChIInChI=1S/C14H11N5O2/c20-10-4-2-9(3-5-10)16-14-15-7-8-1-6-11-13(12(8)17-14)19-21-18-11/h2-5,7,20H,1,6H2,(H,15,16,17)
InChIKeyYEQWLZPNMULTIX-UHFFFAOYSA-N
MW281.28 g/mol
LogP2.07
Rot. Bonds2

About 4-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol

4-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol (PubChem CID 135502637) has the molecular formula C14H11N5O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 4-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol.

Molecular Properties

Compound Name4-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol
PubChem CID135502637
Molecular FormulaC14H11N5O2
Molecular Weight281.28 g/mol
Exact Mass281.09
IUPAC Name4-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol
SMILESOc1ccc(Nc2ncc3c(n2)-c2nonc2CC3)cc1
InChIInChI=1S/C14H11N5O2/c20-10-4-2-9(3-5-10)16-14-15-7-8-1-6-11-13(12(8)17-14)19-21-18-11/h2-5,7,20H,1,6H2,(H,15,16,17)
InChIKeyYEQWLZPNMULTIX-UHFFFAOYSA-N
XLogP2.07
TPSA96.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine
CID 59262873
2-methyl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine
CID 11428427
8-(4-acetylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 46886959
N-methyl-4-[(2-methyl-1-propan-2-yl-4,5-dihydroimidazo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide
CID 155253346
8-methoxy-N-(4-methoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 18918768
2-(3,4,5-trimethoxyanilino)-5,6-dihydrobenzo[h]quinazolin-9-ol
CID 57033343
2-[3-(1H-azirin-2-yl)anilino]-5,6-dihydrobenzo[h]quinazolin-9-ol
CID 145026963
3-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ylamino)phenol
CID 59262900
1-[4-[4-[(8-cyclopentyl-7-hydroxy-5,6-dihydroquinazolin-2-yl)amino]phenyl]piperazin-1-yl]ethanone
CID 135550669
4-[[5-fluoro-2-(4-fluoroanilino)pyrimidin-4-yl]amino]phenol
CID 90489150
N-[4-[(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)amino]phenyl]acetamide
CID 175796904
ethyl 8-[4-(hydroxymethyl)anilino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate
CID 68936709

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol?
The IUPAC name of 4-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol (CID 135502637) is 4-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol.
What is the SMILES notation for 4-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol?
The canonical SMILES for 4-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol is Oc1ccc(Nc2ncc3c(n2)-c2nonc2CC3)cc1.
What is the InChIKey of 4-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol?
The InChIKey is YEQWLZPNMULTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2/c20-10-4-2-9(3-5-10)16-14-15-7-8-1-6-11-13(12(8)17-14)19-21-18-11/h2-5,7,20H,1,6H2,(H,15,16,17).
What are the key properties of 4-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol?
4-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol has a molecular weight of 281.28 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol is sourced from PubChem (CID 135502637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).