2-[[2-(2-methylanilino)quinazolin-4-yl]amino]ethanol

C17H18N4O — CID 2142799

IUPAC2-[[2-(2-methylanilino)quinazolin-4-yl]amino]ethanol
SMILESCc1ccccc1Nc1nc(NCCO)c2ccccc2n1
InChIInChI=1S/C17H18N4O/c1-12-6-2-4-8-14(12)19-17-20-15-9-5-3-7-13(15)16(21-17)18-10-11-22/h2-9,22H,10-11H2,1H3,(H2,18,19,20,21)
InChIKeyBPXRSDRRTFWMIB-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.09
Rot. Bonds5

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

2-[[2-(2-methylanilino)quinazolin-4-yl]amino]ethanol (PubChem CID 2142799) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[[2-(2-methylanilino)quinazolin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(2-methylanilino)quinazolin-4-yl]amino]ethanol
PubChem CID2142799
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-[[2-(2-methylanilino)quinazolin-4-yl]amino]ethanol
SMILESCc1ccccc1Nc1nc(NCCO)c2ccccc2n1
InChIInChI=1S/C17H18N4O/c1-12-6-2-4-8-14(12)19-17-20-15-9-5-3-7-13(15)16(21-17)18-10-11-22/h2-9,22H,10-11H2,1H3,(H2,18,19,20,21)
InChIKeyBPXRSDRRTFWMIB-UHFFFAOYSA-N
XLogP3.09
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methylanilino)quinazolin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-(2-methylanilino)quinazolin-4-yl]amino]ethanol (CID 2142799) is 2-[[2-(2-methylanilino)quinazolin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-(2-methylanilino)quinazolin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-(2-methylanilino)quinazolin-4-yl]amino]ethanol is Cc1ccccc1Nc1nc(NCCO)c2ccccc2n1.
What is the InChIKey of 2-[[2-(2-methylanilino)quinazolin-4-yl]amino]ethanol?
The InChIKey is BPXRSDRRTFWMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-12-6-2-4-8-14(12)19-17-20-15-9-5-3-7-13(15)16(21-17)18-10-11-22/h2-9,22H,10-11H2,1H3,(H2,18,19,20,21).
What are the key properties of 2-[[2-(2-methylanilino)quinazolin-4-yl]amino]ethanol?
2-[[2-(2-methylanilino)quinazolin-4-yl]amino]ethanol has a molecular weight of 294.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methylanilino)quinazolin-4-yl]amino]ethanol is sourced from PubChem (CID 2142799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).