1-[3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenyl]ethanol

C18H20N4O2 — CID 50945521

IUPAC1-[3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenyl]ethanol
SMILESCC(O)c1cccc(Nc2nc(NCCO)c3ccccc3n2)c1
InChIInChI=1S/C18H20N4O2/c1-12(24)13-5-4-6-14(11-13)20-18-21-16-8-3-2-7-15(16)17(22-18)19-9-10-23/h2-8,11-12,23-24H,9-10H2,1H3,(H2,19,20,21,22)
InChIKeyGQINXQVKBAHZIN-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.83
Rot. Bonds6

About 1-[3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenyl]ethanol

1-[3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenyl]ethanol (PubChem CID 50945521) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenyl]ethanol
PubChem CID50945521
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-[3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenyl]ethanol
SMILESCC(O)c1cccc(Nc2nc(NCCO)c3ccccc3n2)c1
InChIInChI=1S/C18H20N4O2/c1-12(24)13-5-4-6-14(11-13)20-18-21-16-8-3-2-7-15(16)17(22-18)19-9-10-23/h2-8,11-12,23-24H,9-10H2,1H3,(H2,19,20,21,22)
InChIKeyGQINXQVKBAHZIN-UHFFFAOYSA-N
XLogP2.83
TPSA90.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenyl]ethanol?
The IUPAC name of 1-[3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenyl]ethanol (CID 50945521) is 1-[3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenyl]ethanol.
What is the SMILES notation for 1-[3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenyl]ethanol?
The canonical SMILES for 1-[3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenyl]ethanol is CC(O)c1cccc(Nc2nc(NCCO)c3ccccc3n2)c1.
What is the InChIKey of 1-[3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenyl]ethanol?
The InChIKey is GQINXQVKBAHZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12(24)13-5-4-6-14(11-13)20-18-21-16-8-3-2-7-15(16)17(22-18)19-9-10-23/h2-8,11-12,23-24H,9-10H2,1H3,(H2,19,20,21,22).
What are the key properties of 1-[3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenyl]ethanol?
1-[3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenyl]ethanol has a molecular weight of 324.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenyl]ethanol is sourced from PubChem (CID 50945521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).