2-[[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]amino]ethanol

C19H21N3O4 — CID 171988113

IUPAC2-[[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]amino]ethanol
SMILESCOc1cc(-c2nc(NCCO)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C19H21N3O4/c1-24-15-10-12(11-16(25-2)17(15)26-3)18-21-14-7-5-4-6-13(14)19(22-18)20-8-9-23/h4-7,10-11,23H,8-9H2,1-3H3,(H,20,21,22)
InChIKeyAFBJDBRAWYKQEJ-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.73
Rot. Bonds7

About 2-[[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]amino]ethanol

2-[[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]amino]ethanol (PubChem CID 171988113) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-[[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]amino]ethanol
PubChem CID171988113
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2-[[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]amino]ethanol
SMILESCOc1cc(-c2nc(NCCO)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C19H21N3O4/c1-24-15-10-12(11-16(25-2)17(15)26-3)18-21-14-7-5-4-6-13(14)19(22-18)20-8-9-23/h4-7,10-11,23H,8-9H2,1-3H3,(H,20,21,22)
InChIKeyAFBJDBRAWYKQEJ-UHFFFAOYSA-N
XLogP2.73
TPSA85.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]amino]ethanol with MolForge

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Related Compounds

2-[(2-phenylquinazolin-4-yl)amino]ethanol;hydrochloride
CID 2789481
N-(3,4-dimethylphenyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
CID 22330312
2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
CID 67327308
2-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 9024030
3-[[2-(3,4-dichlorophenyl)quinazolin-4-yl]amino]propan-1-ol
CID 21491344
4-nitroso-2-(3,4,5-trimethoxyphenyl)quinazoline
CID 90435743
2-phenyl-N-propylquinazolin-4-amine
CID 10244508
2-[[2-(5-chloro-2-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride
CID 2973041
2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 20963119
methyl 3-[(2-thiophen-3-ylquinazolin-4-yl)amino]propanoate
CID 71902211
N-butan-2-yl-2-(3,4-dimethoxyphenyl)quinazolin-4-amine
CID 23820170
N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]amino]ethanol (CID 171988113) is 2-[[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]amino]ethanol is COc1cc(-c2nc(NCCO)c3ccccc3n2)cc(OC)c1OC.
What is the InChIKey of 2-[[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]amino]ethanol?
The InChIKey is AFBJDBRAWYKQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-24-15-10-12(11-16(25-2)17(15)26-3)18-21-14-7-5-4-6-13(14)19(22-18)20-8-9-23/h4-7,10-11,23H,8-9H2,1-3H3,(H,20,21,22).
What are the key properties of 2-[[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]amino]ethanol?
2-[[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]amino]ethanol has a molecular weight of 355.39 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]amino]ethanol is sourced from PubChem (CID 171988113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).