2-[[2-(3,4-dimethylanilino)quinazolin-4-yl]amino]ethanol

C18H20N4O — CID 2226126

IUPAC2-[[2-(3,4-dimethylanilino)quinazolin-4-yl]amino]ethanol
SMILESCc1ccc(Nc2nc(NCCO)c3ccccc3n2)cc1C
InChIInChI=1S/C18H20N4O/c1-12-7-8-14(11-13(12)2)20-18-21-16-6-4-3-5-15(16)17(22-18)19-9-10-23/h3-8,11,23H,9-10H2,1-2H3,(H2,19,20,21,22)
InChIKeyRHZLKBRFIAZMTN-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.39
Rot. Bonds5

About 2-[[2-(3,4-dimethylanilino)quinazolin-4-yl]amino]ethanol

2-[[2-(3,4-dimethylanilino)quinazolin-4-yl]amino]ethanol (PubChem CID 2226126) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-[[2-(3,4-dimethylanilino)quinazolin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(3,4-dimethylanilino)quinazolin-4-yl]amino]ethanol
PubChem CID2226126
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name2-[[2-(3,4-dimethylanilino)quinazolin-4-yl]amino]ethanol
SMILESCc1ccc(Nc2nc(NCCO)c3ccccc3n2)cc1C
InChIInChI=1S/C18H20N4O/c1-12-7-8-14(11-13(12)2)20-18-21-16-6-4-3-5-15(16)17(22-18)19-9-10-23/h3-8,11,23H,9-10H2,1-2H3,(H2,19,20,21,22)
InChIKeyRHZLKBRFIAZMTN-UHFFFAOYSA-N
XLogP3.39
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dimethylanilino)quinazolin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-(3,4-dimethylanilino)quinazolin-4-yl]amino]ethanol (CID 2226126) is 2-[[2-(3,4-dimethylanilino)quinazolin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-(3,4-dimethylanilino)quinazolin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-(3,4-dimethylanilino)quinazolin-4-yl]amino]ethanol is Cc1ccc(Nc2nc(NCCO)c3ccccc3n2)cc1C.
What is the InChIKey of 2-[[2-(3,4-dimethylanilino)quinazolin-4-yl]amino]ethanol?
The InChIKey is RHZLKBRFIAZMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12-7-8-14(11-13(12)2)20-18-21-16-6-4-3-5-15(16)17(22-18)19-9-10-23/h3-8,11,23H,9-10H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 2-[[2-(3,4-dimethylanilino)quinazolin-4-yl]amino]ethanol?
2-[[2-(3,4-dimethylanilino)quinazolin-4-yl]amino]ethanol has a molecular weight of 308.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dimethylanilino)quinazolin-4-yl]amino]ethanol is sourced from PubChem (CID 2226126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).