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

C17H18N4O2 — CID 2142796

IUPAC2-[[2-(3-methoxyanilino)quinazolin-4-yl]amino]ethanol
SMILESCOc1cccc(Nc2nc(NCCO)c3ccccc3n2)c1
InChIInChI=1S/C17H18N4O2/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)
InChIKeyHPFVQAYLQOSFOL-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.79
Rot. Bonds6

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

2-[[2-(3-methoxyanilino)quinazolin-4-yl]amino]ethanol (PubChem CID 2142796) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[[2-(3-methoxyanilino)quinazolin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(3-methoxyanilino)quinazolin-4-yl]amino]ethanol
PubChem CID2142796
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-[[2-(3-methoxyanilino)quinazolin-4-yl]amino]ethanol
SMILESCOc1cccc(Nc2nc(NCCO)c3ccccc3n2)c1
InChIInChI=1S/C17H18N4O2/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)
InChIKeyHPFVQAYLQOSFOL-UHFFFAOYSA-N
XLogP2.79
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.79
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?
The IUPAC name of 2-[[2-(3-methoxyanilino)quinazolin-4-yl]amino]ethanol (CID 2142796) is 2-[[2-(3-methoxyanilino)quinazolin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-(3-methoxyanilino)quinazolin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-(3-methoxyanilino)quinazolin-4-yl]amino]ethanol is COc1cccc(Nc2nc(NCCO)c3ccccc3n2)c1.
What is the InChIKey of 2-[[2-(3-methoxyanilino)quinazolin-4-yl]amino]ethanol?
The InChIKey is HPFVQAYLQOSFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/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).
What are the key properties of 2-[[2-(3-methoxyanilino)quinazolin-4-yl]amino]ethanol?
2-[[2-(3-methoxyanilino)quinazolin-4-yl]amino]ethanol has a molecular weight of 310.36 g/mol, XLogP of 2.79, 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 is sourced from PubChem (CID 2142796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).