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

C20H24N4O — CID 56729007

IUPAC1-[3-[[4-(diethylamino)quinazolin-2-yl]amino]phenyl]ethanol
SMILESCCN(CC)c1nc(Nc2cccc(C(C)O)c2)nc2ccccc12
InChIInChI=1S/C20H24N4O/c1-4-24(5-2)19-17-11-6-7-12-18(17)22-20(23-19)21-16-10-8-9-15(13-16)14(3)25/h6-14,25H,4-5H2,1-3H3,(H,21,22,23)
InChIKeyMGQACFJRYRTFOH-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.27
Rot. Bonds6

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

1-[3-[[4-(diethylamino)quinazolin-2-yl]amino]phenyl]ethanol (PubChem CID 56729007) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[3-[[4-(diethylamino)quinazolin-2-yl]amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-[[4-(diethylamino)quinazolin-2-yl]amino]phenyl]ethanol
PubChem CID56729007
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name1-[3-[[4-(diethylamino)quinazolin-2-yl]amino]phenyl]ethanol
SMILESCCN(CC)c1nc(Nc2cccc(C(C)O)c2)nc2ccccc12
InChIInChI=1S/C20H24N4O/c1-4-24(5-2)19-17-11-6-7-12-18(17)22-20(23-19)21-16-10-8-9-15(13-16)14(3)25/h6-14,25H,4-5H2,1-3H3,(H,21,22,23)
InChIKeyMGQACFJRYRTFOH-UHFFFAOYSA-N
XLogP4.27
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(diethylamino)quinazolin-2-yl]amino]phenyl]ethanol?
The IUPAC name of 1-[3-[[4-(diethylamino)quinazolin-2-yl]amino]phenyl]ethanol (CID 56729007) is 1-[3-[[4-(diethylamino)quinazolin-2-yl]amino]phenyl]ethanol.
What is the SMILES notation for 1-[3-[[4-(diethylamino)quinazolin-2-yl]amino]phenyl]ethanol?
The canonical SMILES for 1-[3-[[4-(diethylamino)quinazolin-2-yl]amino]phenyl]ethanol is CCN(CC)c1nc(Nc2cccc(C(C)O)c2)nc2ccccc12.
What is the InChIKey of 1-[3-[[4-(diethylamino)quinazolin-2-yl]amino]phenyl]ethanol?
The InChIKey is MGQACFJRYRTFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-4-24(5-2)19-17-11-6-7-12-18(17)22-20(23-19)21-16-10-8-9-15(13-16)14(3)25/h6-14,25H,4-5H2,1-3H3,(H,21,22,23).
What are the key properties of 1-[3-[[4-(diethylamino)quinazolin-2-yl]amino]phenyl]ethanol?
1-[3-[[4-(diethylamino)quinazolin-2-yl]amino]phenyl]ethanol has a molecular weight of 336.44 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(diethylamino)quinazolin-2-yl]amino]phenyl]ethanol is sourced from PubChem (CID 56729007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).