1-(4-chlorophenyl)-1-quinazolin-4-ylethanol

C16H13ClN2O — CID 53385740

IUPAC1-(4-chlorophenyl)-1-quinazolin-4-ylethanol
SMILESCC(O)(c1ccc(Cl)cc1)c1ncnc2ccccc12
InChIInChI=1S/C16H13ClN2O/c1-16(20,11-6-8-12(17)9-7-11)15-13-4-2-3-5-14(13)18-10-19-15/h2-10,20H,1H3
InChIKeyKMRRJCSOOMLGFP-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.54
Rot. Bonds2

About 1-(4-chlorophenyl)-1-quinazolin-4-ylethanol

1-(4-chlorophenyl)-1-quinazolin-4-ylethanol (PubChem CID 53385740) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-quinazolin-4-ylethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-quinazolin-4-ylethanol
PubChem CID53385740
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name1-(4-chlorophenyl)-1-quinazolin-4-ylethanol
SMILESCC(O)(c1ccc(Cl)cc1)c1ncnc2ccccc12
InChIInChI=1S/C16H13ClN2O/c1-16(20,11-6-8-12(17)9-7-11)15-13-4-2-3-5-14(13)18-10-19-15/h2-10,20H,1H3
InChIKeyKMRRJCSOOMLGFP-UHFFFAOYSA-N
XLogP3.54
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Bis-(4-chloro-phenyl)-pyrimidin-4-yl-methanol
CID 44356744
1-(4-Methylsulfanylphenyl)-1-quinazolin-4-ylethanol
CID 118736467
4-(4-Chlorophenyl)-1-(5-methyl-2-phenylquinazolin-4-yl)piperidin-4-ol
CID 1803196
4-[[4-[1-(4-Chlorophenyl)-1-hydroxy-ethyl]pyrimidin-2-yl]amino]benzonitrile
CID 86577936
1-(7-Chloroquinazolin-4-yl)-1-(4-methoxyphenyl)ethanol
CID 156012634
1-(6-Chloroquinazolin-4-yl)-1-(4-methoxyphenyl)ethanol
CID 156013118
1-[4-(Dimethylamino)phenyl]-1-quinazolin-4-ylethanol
CID 53385735
1-[4-(Methylamino)phenyl]-1-quinazolin-4-ylethanol
CID 53385736
4-([6-[Bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino)-1-phenylcyclohexan-1-ol
CID 118916041
(2-Chlorophenyl)-(4-chlorophenyl)-pyrimidin-4-ylmethanol
CID 56679320
1-Phenyl-1-quinazolin-4-ylethanol
CID 13439023
1-Quinazolin-4-yl-1-[4-(trifluoromethyl)phenyl]ethanol
CID 53385739

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-quinazolin-4-ylethanol?
The IUPAC name of 1-(4-chlorophenyl)-1-quinazolin-4-ylethanol (CID 53385740) is 1-(4-chlorophenyl)-1-quinazolin-4-ylethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-1-quinazolin-4-ylethanol?
The canonical SMILES for 1-(4-chlorophenyl)-1-quinazolin-4-ylethanol is CC(O)(c1ccc(Cl)cc1)c1ncnc2ccccc12.
What is the InChIKey of 1-(4-chlorophenyl)-1-quinazolin-4-ylethanol?
The InChIKey is KMRRJCSOOMLGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-16(20,11-6-8-12(17)9-7-11)15-13-4-2-3-5-14(13)18-10-19-15/h2-10,20H,1H3.
What are the key properties of 1-(4-chlorophenyl)-1-quinazolin-4-ylethanol?
1-(4-chlorophenyl)-1-quinazolin-4-ylethanol has a molecular weight of 284.75 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-quinazolin-4-ylethanol is sourced from PubChem (CID 53385740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).