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

C17H19ClN4O2 — CID 11834445

IUPAC2-[[2-(3-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride
SMILESCOc1cccc(Nc2nc(NCCO)c3ccccc3n2)c1.Cl
InChIInChI=1S/C17H18N4O2.ClH/c1-23-13-6-4-5-12(11-13)19-17-20-15-8-3-2-7-14(15)16(21-17)18-9-10-22;/h2-8,11,22H,9-10H2,1H3,(H2,18,19,20,21);1H
InChIKeyJFOMKVIXUGVKOM-UHFFFAOYSA-N
MW346.82 g/mol
LogP3.21
Rot. Bonds6

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

2-[[2-(3-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride (PubChem CID 11834445) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 2-[[2-(3-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[[2-(3-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride
PubChem CID11834445
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name2-[[2-(3-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride
SMILESCOc1cccc(Nc2nc(NCCO)c3ccccc3n2)c1.Cl
InChIInChI=1S/C17H18N4O2.ClH/c1-23-13-6-4-5-12(11-13)19-17-20-15-8-3-2-7-14(15)16(21-17)18-9-10-22;/h2-8,11,22H,9-10H2,1H3,(H2,18,19,20,21);1H
InChIKeyJFOMKVIXUGVKOM-UHFFFAOYSA-N
XLogP3.21
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride?
The IUPAC name of 2-[[2-(3-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride (CID 11834445) is 2-[[2-(3-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride.
What is the SMILES notation for 2-[[2-(3-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride?
The canonical SMILES for 2-[[2-(3-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride is COc1cccc(Nc2nc(NCCO)c3ccccc3n2)c1.Cl.
What is the InChIKey of 2-[[2-(3-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride?
The InChIKey is JFOMKVIXUGVKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2.ClH/c1-23-13-6-4-5-12(11-13)19-17-20-15-8-3-2-7-14(15)16(21-17)18-9-10-22;/h2-8,11,22H,9-10H2,1H3,(H2,18,19,20,21);1H.
What are the key properties of 2-[[2-(3-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride?
2-[[2-(3-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride has a molecular weight of 346.82 g/mol, XLogP of 3.21, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride is sourced from PubChem (CID 11834445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).