3-[(2-chloroquinazolin-4-yl)amino]phenol

C14H10ClN3O — CID 22692943

IUPAC3-[(2-chloroquinazolin-4-yl)amino]phenol
SMILESOc1cccc(Nc2nc(Cl)nc3ccccc23)c1
InChIInChI=1S/C14H10ClN3O/c15-14-17-12-7-2-1-6-11(12)13(18-14)16-9-4-3-5-10(19)8-9/h1-8,19H,(H,16,17,18)
InChIKeyCYLMELRIHSFYHG-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.73
Rot. Bonds2

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

3-[(2-chloroquinazolin-4-yl)amino]phenol (PubChem CID 22692943) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 3-[(2-chloroquinazolin-4-yl)amino]phenol.

Molecular Properties

Compound Name3-[(2-chloroquinazolin-4-yl)amino]phenol
PubChem CID22692943
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name3-[(2-chloroquinazolin-4-yl)amino]phenol
SMILESOc1cccc(Nc2nc(Cl)nc3ccccc23)c1
InChIInChI=1S/C14H10ClN3O/c15-14-17-12-7-2-1-6-11(12)13(18-14)16-9-4-3-5-10(19)8-9/h1-8,19H,(H,16,17,18)
InChIKeyCYLMELRIHSFYHG-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

Analyze 3-[(2-chloroquinazolin-4-yl)amino]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-chloroquinazolin-4-yl)amino]phenol
CID 22692945
2-chloro-N-(3,5-difluorophenyl)quinazolin-4-amine
CID 62477687
2-chloro-N-(4-chlorophenyl)quinazolin-4-amine
CID 22692704
3-[[2-(furan-2-yl)quinazolin-4-yl]amino]phenol
CID 91964191
2-chloro-N-(3,5-dichloro-4-fluorophenyl)quinazolin-4-amine
CID 107576871
4-[(2-chloroquinazolin-4-yl)amino]benzamide
CID 22692750
3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
CID 82065960
4-[(2-chloroquinazolin-4-yl)amino]benzoic acid
CID 22692967
3-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]phenol;hydrochloride
CID 20982605
2-chloro-N-(2,4-dichlorophenyl)quinazolin-4-amine
CID 22692895
2-chloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 22692746
2-N-(3-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 46850879

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloroquinazolin-4-yl)amino]phenol?
The IUPAC name of 3-[(2-chloroquinazolin-4-yl)amino]phenol (CID 22692943) is 3-[(2-chloroquinazolin-4-yl)amino]phenol.
What is the SMILES notation for 3-[(2-chloroquinazolin-4-yl)amino]phenol?
The canonical SMILES for 3-[(2-chloroquinazolin-4-yl)amino]phenol is Oc1cccc(Nc2nc(Cl)nc3ccccc23)c1.
What is the InChIKey of 3-[(2-chloroquinazolin-4-yl)amino]phenol?
The InChIKey is CYLMELRIHSFYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-14-17-12-7-2-1-6-11(12)13(18-14)16-9-4-3-5-10(19)8-9/h1-8,19H,(H,16,17,18).
What are the key properties of 3-[(2-chloroquinazolin-4-yl)amino]phenol?
3-[(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 3-[(2-chloroquinazolin-4-yl)amino]phenol is sourced from PubChem (CID 22692943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).