3-[[2-(furan-2-yl)quinazolin-4-yl]amino]phenol

C18H13N3O2 — CID 91964191

IUPAC3-[[2-(furan-2-yl)quinazolin-4-yl]amino]phenol
SMILESOc1cccc(Nc2nc(-c3ccco3)nc3ccccc23)c1
InChIInChI=1S/C18H13N3O2/c22-13-6-3-5-12(11-13)19-17-14-7-1-2-8-15(14)20-18(21-17)16-9-4-10-23-16/h1-11,22H,(H,19,20,21)
InChIKeyQQQGDYCWXDQCDF-UHFFFAOYSA-N
MW303.32 g/mol
LogP4.34
Rot. Bonds3

About 3-[[2-(furan-2-yl)quinazolin-4-yl]amino]phenol

3-[[2-(furan-2-yl)quinazolin-4-yl]amino]phenol (PubChem CID 91964191) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-[[2-(furan-2-yl)quinazolin-4-yl]amino]phenol.

Molecular Properties

Compound Name3-[[2-(furan-2-yl)quinazolin-4-yl]amino]phenol
PubChem CID91964191
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name3-[[2-(furan-2-yl)quinazolin-4-yl]amino]phenol
SMILESOc1cccc(Nc2nc(-c3ccco3)nc3ccccc23)c1
InChIInChI=1S/C18H13N3O2/c22-13-6-3-5-12(11-13)19-17-14-7-1-2-8-15(14)20-18(21-17)16-9-4-10-23-16/h1-11,22H,(H,19,20,21)
InChIKeyQQQGDYCWXDQCDF-UHFFFAOYSA-N
XLogP4.34
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-chloroquinazolin-4-yl)amino]phenol
CID 22692943
N-(2-chlorophenyl)-2-(furan-2-yl)quinazolin-4-amine
CID 91964196
3-[4-anilino-2-(furan-2-yl)quinazolin-6-yl]prop-2-yn-1-ol
CID 46843408
3-[[6-fluoro-2-(3-fluorophenyl)quinazolin-4-yl]amino]phenol
CID 53329929
3-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]phenol;hydrochloride
CID 20982605
3-[(2-phenylquinazolin-4-yl)amino]benzoic acid;hydrochloride
CID 2894714
3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenol chloride
CID 53351223
3-[[3-(phenylsulfanylamino)quinoxalin-2-yl]amino]phenol
CID 143443019
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(furan-2-yl)quinazolin-4-amine
CID 91964296
N-(3-methoxyphenyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine
CID 53030111
2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine
CID 757186
4-[(2-thiophen-2-ylquinazolin-4-yl)amino]phenol
CID 91964343

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(furan-2-yl)quinazolin-4-yl]amino]phenol?
The IUPAC name of 3-[[2-(furan-2-yl)quinazolin-4-yl]amino]phenol (CID 91964191) is 3-[[2-(furan-2-yl)quinazolin-4-yl]amino]phenol.
What is the SMILES notation for 3-[[2-(furan-2-yl)quinazolin-4-yl]amino]phenol?
The canonical SMILES for 3-[[2-(furan-2-yl)quinazolin-4-yl]amino]phenol is Oc1cccc(Nc2nc(-c3ccco3)nc3ccccc23)c1.
What is the InChIKey of 3-[[2-(furan-2-yl)quinazolin-4-yl]amino]phenol?
The InChIKey is QQQGDYCWXDQCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c22-13-6-3-5-12(11-13)19-17-14-7-1-2-8-15(14)20-18(21-17)16-9-4-10-23-16/h1-11,22H,(H,19,20,21).
What are the key properties of 3-[[2-(furan-2-yl)quinazolin-4-yl]amino]phenol?
3-[[2-(furan-2-yl)quinazolin-4-yl]amino]phenol has a molecular weight of 303.32 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(furan-2-yl)quinazolin-4-yl]amino]phenol is sourced from PubChem (CID 91964191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).