2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethanol

C17H17ClN2O — CID 54757592

IUPAC2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethanol
SMILESCC1=Nc2ccc(Cl)cc2C(c2ccccc2)N1CCO
InChIInChI=1S/C17H17ClN2O/c1-12-19-16-8-7-14(18)11-15(16)17(20(12)9-10-21)13-5-3-2-4-6-13/h2-8,11,17,21H,9-10H2,1H3
InChIKeyNCESCCJUVDLGLG-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.79
Rot. Bonds3

About 2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethanol

2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethanol (PubChem CID 54757592) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethanol.

Molecular Properties

Compound Name2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethanol
PubChem CID54757592
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethanol
SMILESCC1=Nc2ccc(Cl)cc2C(c2ccccc2)N1CCO
InChIInChI=1S/C17H17ClN2O/c1-12-19-16-8-7-14(18)11-15(16)17(20(12)9-10-21)13-5-3-2-4-6-13/h2-8,11,17,21H,9-10H2,1H3
InChIKeyNCESCCJUVDLGLG-UHFFFAOYSA-N
XLogP3.79
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethanol?
The IUPAC name of 2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethanol (CID 54757592) is 2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethanol.
What is the SMILES notation for 2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethanol?
The canonical SMILES for 2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethanol is CC1=Nc2ccc(Cl)cc2C(c2ccccc2)N1CCO.
What is the InChIKey of 2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethanol?
The InChIKey is NCESCCJUVDLGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-12-19-16-8-7-14(18)11-15(16)17(20(12)9-10-21)13-5-3-2-4-6-13/h2-8,11,17,21H,9-10H2,1H3.
What are the key properties of 2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethanol?
2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethanol has a molecular weight of 300.79 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethanol is sourced from PubChem (CID 54757592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).