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

C18H20N4O — CID 50947145

IUPAC1-[3-[[4-(dimethylamino)quinazolin-2-yl]amino]phenyl]ethanol
SMILESCC(O)c1cccc(Nc2nc(N(C)C)c3ccccc3n2)c1
InChIInChI=1S/C18H20N4O/c1-12(23)13-7-6-8-14(11-13)19-18-20-16-10-5-4-9-15(16)17(21-18)22(2)3/h4-12,23H,1-3H3,(H,19,20,21)
InChIKeyLQSNGHQTRZUQOZ-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.49
Rot. Bonds4

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

1-[3-[[4-(dimethylamino)quinazolin-2-yl]amino]phenyl]ethanol (PubChem CID 50947145) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 1-[3-[[4-(dimethylamino)quinazolin-2-yl]amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-[[4-(dimethylamino)quinazolin-2-yl]amino]phenyl]ethanol
PubChem CID50947145
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name1-[3-[[4-(dimethylamino)quinazolin-2-yl]amino]phenyl]ethanol
SMILESCC(O)c1cccc(Nc2nc(N(C)C)c3ccccc3n2)c1
InChIInChI=1S/C18H20N4O/c1-12(23)13-7-6-8-14(11-13)19-18-20-16-10-5-4-9-15(16)17(21-18)22(2)3/h4-12,23H,1-3H3,(H,19,20,21)
InChIKeyLQSNGHQTRZUQOZ-UHFFFAOYSA-N
XLogP3.49
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(dimethylamino)quinazolin-2-yl]amino]phenyl]ethanol?
The IUPAC name of 1-[3-[[4-(dimethylamino)quinazolin-2-yl]amino]phenyl]ethanol (CID 50947145) is 1-[3-[[4-(dimethylamino)quinazolin-2-yl]amino]phenyl]ethanol.
What is the SMILES notation for 1-[3-[[4-(dimethylamino)quinazolin-2-yl]amino]phenyl]ethanol?
The canonical SMILES for 1-[3-[[4-(dimethylamino)quinazolin-2-yl]amino]phenyl]ethanol is CC(O)c1cccc(Nc2nc(N(C)C)c3ccccc3n2)c1.
What is the InChIKey of 1-[3-[[4-(dimethylamino)quinazolin-2-yl]amino]phenyl]ethanol?
The InChIKey is LQSNGHQTRZUQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12(23)13-7-6-8-14(11-13)19-18-20-16-10-5-4-9-15(16)17(21-18)22(2)3/h4-12,23H,1-3H3,(H,19,20,21).
What are the key properties of 1-[3-[[4-(dimethylamino)quinazolin-2-yl]amino]phenyl]ethanol?
1-[3-[[4-(dimethylamino)quinazolin-2-yl]amino]phenyl]ethanol has a molecular weight of 308.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(dimethylamino)quinazolin-2-yl]amino]phenyl]ethanol is sourced from PubChem (CID 50947145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).