4-[(2-chloroquinazolin-4-yl)amino]phenol

C14H10ClN3O — CID 22692945

IUPAC4-[(2-chloroquinazolin-4-yl)amino]phenol
SMILESOc1ccc(Nc2nc(Cl)nc3ccccc23)cc1
InChIInChI=1S/C14H10ClN3O/c15-14-17-12-4-2-1-3-11(12)13(18-14)16-9-5-7-10(19)8-6-9/h1-8,19H,(H,16,17,18)
InChIKeyVVXRJWJWGBTGQE-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.73
Rot. Bonds2

About 4-[(2-chloroquinazolin-4-yl)amino]phenol

4-[(2-chloroquinazolin-4-yl)amino]phenol (PubChem CID 22692945) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 4-[(2-chloroquinazolin-4-yl)amino]phenol.

Molecular Properties

Compound Name4-[(2-chloroquinazolin-4-yl)amino]phenol
PubChem CID22692945
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name4-[(2-chloroquinazolin-4-yl)amino]phenol
SMILESOc1ccc(Nc2nc(Cl)nc3ccccc23)cc1
InChIInChI=1S/C14H10ClN3O/c15-14-17-12-4-2-1-3-11(12)13(18-14)16-9-5-7-10(19)8-6-9/h1-8,19H,(H,16,17,18)
InChIKeyVVXRJWJWGBTGQE-UHFFFAOYSA-N
XLogP3.73
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4-chlorophenyl)quinazolin-4-amine
CID 22692704
4-[(2-chloroquinazolin-4-yl)amino]benzoic acid
CID 22692967
3-[(2-chloroquinazolin-4-yl)amino]phenol
CID 22692943
4-[(2-chloroquinazolin-4-yl)amino]benzamide
CID 22692750
2-chloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 22692746
2-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]acetic acid
CID 22693237
2-chloro-N-(4-propylphenyl)quinazolin-4-amine
CID 63548383
2-chloro-N-(3,5-difluorophenyl)quinazolin-4-amine
CID 62477687
2-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]acetonitrile
CID 62476495
2-chloro-N-(3,5-dichloro-4-fluorophenyl)quinazolin-4-amine
CID 107576871
N-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]sulfonylacetamide
CID 22693251
4-[(E)-2-[4-(4-chloroanilino)quinazolin-2-yl]ethenyl]phenol
CID 162677781

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloroquinazolin-4-yl)amino]phenol?
The IUPAC name of 4-[(2-chloroquinazolin-4-yl)amino]phenol (CID 22692945) is 4-[(2-chloroquinazolin-4-yl)amino]phenol.
What is the SMILES notation for 4-[(2-chloroquinazolin-4-yl)amino]phenol?
The canonical SMILES for 4-[(2-chloroquinazolin-4-yl)amino]phenol is Oc1ccc(Nc2nc(Cl)nc3ccccc23)cc1.
What is the InChIKey of 4-[(2-chloroquinazolin-4-yl)amino]phenol?
The InChIKey is VVXRJWJWGBTGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-14-17-12-4-2-1-3-11(12)13(18-14)16-9-5-7-10(19)8-6-9/h1-8,19H,(H,16,17,18).
What are the key properties of 4-[(2-chloroquinazolin-4-yl)amino]phenol?
4-[(2-chloroquinazolin-4-yl)amino]phenol has a molecular weight of 271.71 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloroquinazolin-4-yl)amino]phenol is sourced from PubChem (CID 22692945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).