4-[2-[(6-chloroquinazolin-4-yl)amino]ethyl]phenol

C16H14ClN3O — CID 23631972

IUPAC4-[2-[(6-chloroquinazolin-4-yl)amino]ethyl]phenol
SMILESOc1ccc(CCNc2ncnc3ccc(Cl)cc23)cc1
InChIInChI=1S/C16H14ClN3O/c17-12-3-6-15-14(9-12)16(20-10-19-15)18-8-7-11-1-4-13(21)5-2-11/h1-6,9-10,21H,7-8H2,(H,18,19,20)
InChIKeyMZQYEXKXFXQJMD-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.64
Rot. Bonds4

About 4-[2-[(6-chloroquinazolin-4-yl)amino]ethyl]phenol

4-[2-[(6-chloroquinazolin-4-yl)amino]ethyl]phenol (PubChem CID 23631972) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 4-[2-[(6-chloroquinazolin-4-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(6-chloroquinazolin-4-yl)amino]ethyl]phenol
PubChem CID23631972
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name4-[2-[(6-chloroquinazolin-4-yl)amino]ethyl]phenol
SMILESOc1ccc(CCNc2ncnc3ccc(Cl)cc23)cc1
InChIInChI=1S/C16H14ClN3O/c17-12-3-6-15-14(9-12)16(20-10-19-15)18-8-7-11-1-4-13(21)5-2-11/h1-6,9-10,21H,7-8H2,(H,18,19,20)
InChIKeyMZQYEXKXFXQJMD-UHFFFAOYSA-N
XLogP3.64
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-chloroquinazolin-4-yl)amino]ethyl]phenol?
The IUPAC name of 4-[2-[(6-chloroquinazolin-4-yl)amino]ethyl]phenol (CID 23631972) is 4-[2-[(6-chloroquinazolin-4-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[(6-chloroquinazolin-4-yl)amino]ethyl]phenol?
The canonical SMILES for 4-[2-[(6-chloroquinazolin-4-yl)amino]ethyl]phenol is Oc1ccc(CCNc2ncnc3ccc(Cl)cc23)cc1.
What is the InChIKey of 4-[2-[(6-chloroquinazolin-4-yl)amino]ethyl]phenol?
The InChIKey is MZQYEXKXFXQJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-12-3-6-15-14(9-12)16(20-10-19-15)18-8-7-11-1-4-13(21)5-2-11/h1-6,9-10,21H,7-8H2,(H,18,19,20).
What are the key properties of 4-[2-[(6-chloroquinazolin-4-yl)amino]ethyl]phenol?
4-[2-[(6-chloroquinazolin-4-yl)amino]ethyl]phenol has a molecular weight of 299.76 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-chloroquinazolin-4-yl)amino]ethyl]phenol is sourced from PubChem (CID 23631972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).