4-[6-amino-3-(4-hydroxyphenyl)quinoxalin-2-yl]phenol;dihydrochloride

C20H17Cl2N3O2 — CID 135610078

IUPAC4-[6-amino-3-(4-hydroxyphenyl)quinoxalin-2-yl]phenol;dihydrochloride
SMILESCl.Cl.Nc1ccc2nc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)nc2c1
InChIInChI=1S/C20H15N3O2.2ClH/c21-14-5-10-17-18(11-14)23-20(13-3-8-16(25)9-4-13)19(22-17)12-1-6-15(24)7-2-12;;/h1-11,24-25H,21H2;2*1H
InChIKeyRQJQHDVVTVJXSG-UHFFFAOYSA-N
MW402.28 g/mol
LogP4.80
Rot. Bonds2

About 4-[6-amino-3-(4-hydroxyphenyl)quinoxalin-2-yl]phenol;dihydrochloride

4-[6-amino-3-(4-hydroxyphenyl)quinoxalin-2-yl]phenol;dihydrochloride (PubChem CID 135610078) has the molecular formula C20H17Cl2N3O2 and a molecular weight of 402.28 g/mol. Its IUPAC name is 4-[6-amino-3-(4-hydroxyphenyl)quinoxalin-2-yl]phenol;dihydrochloride.

Molecular Properties

Compound Name4-[6-amino-3-(4-hydroxyphenyl)quinoxalin-2-yl]phenol;dihydrochloride
PubChem CID135610078
Molecular FormulaC20H17Cl2N3O2
Molecular Weight402.28 g/mol
Exact Mass401.07
IUPAC Name4-[6-amino-3-(4-hydroxyphenyl)quinoxalin-2-yl]phenol;dihydrochloride
SMILESCl.Cl.Nc1ccc2nc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)nc2c1
InChIInChI=1S/C20H15N3O2.2ClH/c21-14-5-10-17-18(11-14)23-20(13-3-8-16(25)9-4-13)19(22-17)12-1-6-15(24)7-2-12;;/h1-11,24-25H,21H2;2*1H
InChIKeyRQJQHDVVTVJXSG-UHFFFAOYSA-N
XLogP4.80
TPSA92.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.28
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(7-chloro-3-phenylquinoxalin-2-yl)phenol
CID 136805911
phenazine-2,3,7-triamine
CID 13244876
4-(6-amino-1H-benzimidazol-2-yl)phenol
CID 763218
4-(6-aminonaphthalen-2-yl)phenol
CID 59449860
4-(6-amino-1H-benzimidazol-2-yl)phenol dichloride
CID 135987130
4-(8-amino-3-phenylquinoxalin-2-yl)phenol
CID 141415206
3-but-3-enyl-2-phenylquinoxalin-6-amine
CID 134312152
4-(5-amino-3-chloro-2-pyridinyl)phenol
CID 136758122
6,7,8,9-tetrahydrophenazin-2-amine
CID 13491386
2,3-diphenylquinolin-6-ol
CID 53381619
4-(3,4-diaminophenyl)phenol
CID 19907643
6-iodo-2-(4-methylphenyl)-3-phenylquinoxaline
CID 70894334

Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-3-(4-hydroxyphenyl)quinoxalin-2-yl]phenol;dihydrochloride?
The IUPAC name of 4-[6-amino-3-(4-hydroxyphenyl)quinoxalin-2-yl]phenol;dihydrochloride (CID 135610078) is 4-[6-amino-3-(4-hydroxyphenyl)quinoxalin-2-yl]phenol;dihydrochloride.
What is the SMILES notation for 4-[6-amino-3-(4-hydroxyphenyl)quinoxalin-2-yl]phenol;dihydrochloride?
The canonical SMILES for 4-[6-amino-3-(4-hydroxyphenyl)quinoxalin-2-yl]phenol;dihydrochloride is Cl.Cl.Nc1ccc2nc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)nc2c1.
What is the InChIKey of 4-[6-amino-3-(4-hydroxyphenyl)quinoxalin-2-yl]phenol;dihydrochloride?
The InChIKey is RQJQHDVVTVJXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2.2ClH/c21-14-5-10-17-18(11-14)23-20(13-3-8-16(25)9-4-13)19(22-17)12-1-6-15(24)7-2-12;;/h1-11,24-25H,21H2;2*1H.
What are the key properties of 4-[6-amino-3-(4-hydroxyphenyl)quinoxalin-2-yl]phenol;dihydrochloride?
4-[6-amino-3-(4-hydroxyphenyl)quinoxalin-2-yl]phenol;dihydrochloride has a molecular weight of 402.28 g/mol, XLogP of 4.80, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-3-(4-hydroxyphenyl)quinoxalin-2-yl]phenol;dihydrochloride is sourced from PubChem (CID 135610078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).