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

C18H21ClN4O — CID 2971918

IUPAC2-[[2-(3,4-dimethylanilino)quinazolin-4-yl]amino]ethanol;hydrochloride
SMILESCc1ccc(Nc2nc(NCCO)c3ccccc3n2)cc1C.Cl
InChIInChI=1S/C18H20N4O.ClH/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);1H
InChIKeyZGZOYCYIXXYYOB-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.82
Rot. Bonds5

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

2-[[2-(3,4-dimethylanilino)quinazolin-4-yl]amino]ethanol;hydrochloride (PubChem CID 2971918) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is 2-[[2-(3,4-dimethylanilino)quinazolin-4-yl]amino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[[2-(3,4-dimethylanilino)quinazolin-4-yl]amino]ethanol;hydrochloride
PubChem CID2971918
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name2-[[2-(3,4-dimethylanilino)quinazolin-4-yl]amino]ethanol;hydrochloride
SMILESCc1ccc(Nc2nc(NCCO)c3ccccc3n2)cc1C.Cl
InChIInChI=1S/C18H20N4O.ClH/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);1H
InChIKeyZGZOYCYIXXYYOB-UHFFFAOYSA-N
XLogP3.82
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.82
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;hydrochloride?
The IUPAC name of 2-[[2-(3,4-dimethylanilino)quinazolin-4-yl]amino]ethanol;hydrochloride (CID 2971918) is 2-[[2-(3,4-dimethylanilino)quinazolin-4-yl]amino]ethanol;hydrochloride.
What is the SMILES notation for 2-[[2-(3,4-dimethylanilino)quinazolin-4-yl]amino]ethanol;hydrochloride?
The canonical SMILES for 2-[[2-(3,4-dimethylanilino)quinazolin-4-yl]amino]ethanol;hydrochloride is Cc1ccc(Nc2nc(NCCO)c3ccccc3n2)cc1C.Cl.
What is the InChIKey of 2-[[2-(3,4-dimethylanilino)quinazolin-4-yl]amino]ethanol;hydrochloride?
The InChIKey is ZGZOYCYIXXYYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O.ClH/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);1H.
What are the key properties of 2-[[2-(3,4-dimethylanilino)quinazolin-4-yl]amino]ethanol;hydrochloride?
2-[[2-(3,4-dimethylanilino)quinazolin-4-yl]amino]ethanol;hydrochloride has a molecular weight of 344.85 g/mol, XLogP of 3.82, 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;hydrochloride is sourced from PubChem (CID 2971918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).