4-[(3-amino-[1,2]oxazolo[4,5-c]quinolin-4-yl)amino]phenol

C16H12N4O2 — CID 146547558

IUPAC4-[(3-amino-[1,2]oxazolo[4,5-c]quinolin-4-yl)amino]phenol
SMILESNc1noc2c1c(Nc1ccc(O)cc1)nc1ccccc12
InChIInChI=1S/C16H12N4O2/c17-15-13-14(22-20-15)11-3-1-2-4-12(11)19-16(13)18-9-5-7-10(21)8-6-9/h1-8,21H,(H2,17,20)(H,18,19)
InChIKeyDGBKXFAJKSLNKB-UHFFFAOYSA-N
MW292.30 g/mol
LogP3.41
Rot. Bonds2

About 4-[(3-amino-[1,2]oxazolo[4,5-c]quinolin-4-yl)amino]phenol

4-[(3-amino-[1,2]oxazolo[4,5-c]quinolin-4-yl)amino]phenol (PubChem CID 146547558) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 4-[(3-amino-[1,2]oxazolo[4,5-c]quinolin-4-yl)amino]phenol.

Molecular Properties

Compound Name4-[(3-amino-[1,2]oxazolo[4,5-c]quinolin-4-yl)amino]phenol
PubChem CID146547558
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name4-[(3-amino-[1,2]oxazolo[4,5-c]quinolin-4-yl)amino]phenol
SMILESNc1noc2c1c(Nc1ccc(O)cc1)nc1ccccc12
InChIInChI=1S/C16H12N4O2/c17-15-13-14(22-20-15)11-3-1-2-4-12(11)19-16(13)18-9-5-7-10(21)8-6-9/h1-8,21H,(H2,17,20)(H,18,19)
InChIKeyDGBKXFAJKSLNKB-UHFFFAOYSA-N
XLogP3.41
TPSA97.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-aminoquinazolin-2-yl)amino]phenol;hydrochloride
CID 18560677
4-[(2-chloroquinazolin-4-yl)amino]phenol
CID 22692945
4-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]phenol
CID 54556640
4-N-(4-chlorophenyl)-1-methylpyrazolo[4,5-c]quinoline-3,4-diamine
CID 146547575
4-(quinazolin-4-ylamino)phenol;hydrochloride
CID 2790603
4-[(E)-2-[4-(4-chloroanilino)quinazolin-2-yl]ethenyl]phenol
CID 162677781
4-(phthalazin-1-ylamino)phenol
CID 4131718
4-[(2-thiophen-2-ylquinazolin-4-yl)amino]phenol
CID 91964343
N-(4-methylphenyl)phenanthridin-6-amine
CID 156902145
3-N-(4-methylphenyl)quinoxaline-2,3-diamine
CID 102985247
4-[(2-methylquinolin-4-yl)amino]phenol
CID 939157
4-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]phenol
CID 21004213

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-[1,2]oxazolo[4,5-c]quinolin-4-yl)amino]phenol?
The IUPAC name of 4-[(3-amino-[1,2]oxazolo[4,5-c]quinolin-4-yl)amino]phenol (CID 146547558) is 4-[(3-amino-[1,2]oxazolo[4,5-c]quinolin-4-yl)amino]phenol.
What is the SMILES notation for 4-[(3-amino-[1,2]oxazolo[4,5-c]quinolin-4-yl)amino]phenol?
The canonical SMILES for 4-[(3-amino-[1,2]oxazolo[4,5-c]quinolin-4-yl)amino]phenol is Nc1noc2c1c(Nc1ccc(O)cc1)nc1ccccc12.
What is the InChIKey of 4-[(3-amino-[1,2]oxazolo[4,5-c]quinolin-4-yl)amino]phenol?
The InChIKey is DGBKXFAJKSLNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c17-15-13-14(22-20-15)11-3-1-2-4-12(11)19-16(13)18-9-5-7-10(21)8-6-9/h1-8,21H,(H2,17,20)(H,18,19).
What are the key properties of 4-[(3-amino-[1,2]oxazolo[4,5-c]quinolin-4-yl)amino]phenol?
4-[(3-amino-[1,2]oxazolo[4,5-c]quinolin-4-yl)amino]phenol has a molecular weight of 292.30 g/mol, XLogP of 3.41, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-[1,2]oxazolo[4,5-c]quinolin-4-yl)amino]phenol is sourced from PubChem (CID 146547558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).