2-[[2-(4-chlorophenyl)quinazolin-4-yl]-ethylamino]ethanol

C18H18ClN3O — CID 23988114

IUPAC2-[[2-(4-chlorophenyl)quinazolin-4-yl]-ethylamino]ethanol
SMILESCCN(CCO)c1nc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C18H18ClN3O/c1-2-22(11-12-23)18-15-5-3-4-6-16(15)20-17(21-18)13-7-9-14(19)10-8-13/h3-10,23H,2,11-12H2,1H3
InChIKeySXTGYPAOYKEUNJ-UHFFFAOYSA-N
MW327.82 g/mol
LogP3.77
Rot. Bonds5

About 2-[[2-(4-chlorophenyl)quinazolin-4-yl]-ethylamino]ethanol

2-[[2-(4-chlorophenyl)quinazolin-4-yl]-ethylamino]ethanol (PubChem CID 23988114) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)quinazolin-4-yl]-ethylamino]ethanol.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)quinazolin-4-yl]-ethylamino]ethanol
PubChem CID23988114
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC Name2-[[2-(4-chlorophenyl)quinazolin-4-yl]-ethylamino]ethanol
SMILESCCN(CCO)c1nc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C18H18ClN3O/c1-2-22(11-12-23)18-15-5-3-4-6-16(15)20-17(21-18)13-7-9-14(19)10-8-13/h3-10,23H,2,11-12H2,1H3
InChIKeySXTGYPAOYKEUNJ-UHFFFAOYSA-N
XLogP3.77
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)quinazolin-4-yl]-ethylamino]ethanol?
The IUPAC name of 2-[[2-(4-chlorophenyl)quinazolin-4-yl]-ethylamino]ethanol (CID 23988114) is 2-[[2-(4-chlorophenyl)quinazolin-4-yl]-ethylamino]ethanol.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)quinazolin-4-yl]-ethylamino]ethanol?
The canonical SMILES for 2-[[2-(4-chlorophenyl)quinazolin-4-yl]-ethylamino]ethanol is CCN(CCO)c1nc(-c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-[[2-(4-chlorophenyl)quinazolin-4-yl]-ethylamino]ethanol?
The InChIKey is SXTGYPAOYKEUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-2-22(11-12-23)18-15-5-3-4-6-16(15)20-17(21-18)13-7-9-14(19)10-8-13/h3-10,23H,2,11-12H2,1H3.
What are the key properties of 2-[[2-(4-chlorophenyl)quinazolin-4-yl]-ethylamino]ethanol?
2-[[2-(4-chlorophenyl)quinazolin-4-yl]-ethylamino]ethanol has a molecular weight of 327.82 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)quinazolin-4-yl]-ethylamino]ethanol is sourced from PubChem (CID 23988114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).