2-[2-[2-(quinazolin-4-ylamino)ethyl]phenyl]ethanol

C18H19N3O — CID 67890696

IUPAC2-[2-[2-(quinazolin-4-ylamino)ethyl]phenyl]ethanol
SMILESOCCc1ccccc1CCNc1ncnc2ccccc12
InChIInChI=1S/C18H19N3O/c22-12-10-15-6-2-1-5-14(15)9-11-19-18-16-7-3-4-8-17(16)20-13-21-18/h1-8,13,22H,9-12H2,(H,19,20,21)
InChIKeyPIXRZSUKAXESON-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.82
Rot. Bonds6

About 2-[2-[2-(quinazolin-4-ylamino)ethyl]phenyl]ethanol

2-[2-[2-(quinazolin-4-ylamino)ethyl]phenyl]ethanol (PubChem CID 67890696) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[2-[2-(quinazolin-4-ylamino)ethyl]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[2-(quinazolin-4-ylamino)ethyl]phenyl]ethanol
PubChem CID67890696
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-[2-[2-(quinazolin-4-ylamino)ethyl]phenyl]ethanol
SMILESOCCc1ccccc1CCNc1ncnc2ccccc12
InChIInChI=1S/C18H19N3O/c22-12-10-15-6-2-1-5-14(15)9-11-19-18-16-7-3-4-8-17(16)20-13-21-18/h1-8,13,22H,9-12H2,(H,19,20,21)
InChIKeyPIXRZSUKAXESON-UHFFFAOYSA-N
XLogP2.82
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(quinazolin-4-ylamino)ethyl]phenyl]ethanol?
The IUPAC name of 2-[2-[2-(quinazolin-4-ylamino)ethyl]phenyl]ethanol (CID 67890696) is 2-[2-[2-(quinazolin-4-ylamino)ethyl]phenyl]ethanol.
What is the SMILES notation for 2-[2-[2-(quinazolin-4-ylamino)ethyl]phenyl]ethanol?
The canonical SMILES for 2-[2-[2-(quinazolin-4-ylamino)ethyl]phenyl]ethanol is OCCc1ccccc1CCNc1ncnc2ccccc12.
What is the InChIKey of 2-[2-[2-(quinazolin-4-ylamino)ethyl]phenyl]ethanol?
The InChIKey is PIXRZSUKAXESON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c22-12-10-15-6-2-1-5-14(15)9-11-19-18-16-7-3-4-8-17(16)20-13-21-18/h1-8,13,22H,9-12H2,(H,19,20,21).
What are the key properties of 2-[2-[2-(quinazolin-4-ylamino)ethyl]phenyl]ethanol?
2-[2-[2-(quinazolin-4-ylamino)ethyl]phenyl]ethanol has a molecular weight of 293.37 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(quinazolin-4-ylamino)ethyl]phenyl]ethanol is sourced from PubChem (CID 67890696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).