3-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol

C19H21N5O — CID 6941014

IUPAC3-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol
SMILESCN1CCN(c2nc(Nc3cccc(O)c3)nc3ccccc23)CC1
InChIInChI=1S/C19H21N5O/c1-23-9-11-24(12-10-23)18-16-7-2-3-8-17(16)21-19(22-18)20-14-5-4-6-15(25)13-14/h2-8,13,25H,9-12H2,1H3,(H,20,21,22)
InChIKeyKDCUZTJMCYJDIU-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.83
Rot. Bonds3

About 3-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol

3-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol (PubChem CID 6941014) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol.

Molecular Properties

Compound Name3-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol
PubChem CID6941014
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name3-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol
SMILESCN1CCN(c2nc(Nc3cccc(O)c3)nc3ccccc23)CC1
InChIInChI=1S/C19H21N5O/c1-23-9-11-24(12-10-23)18-16-7-2-3-8-17(16)21-19(22-18)20-14-5-4-6-15(25)13-14/h2-8,13,25H,9-12H2,1H3,(H,20,21,22)
InChIKeyKDCUZTJMCYJDIU-UHFFFAOYSA-N
XLogP2.83
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol?
The IUPAC name of 3-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol (CID 6941014) is 3-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol.
What is the SMILES notation for 3-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol?
The canonical SMILES for 3-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol is CN1CCN(c2nc(Nc3cccc(O)c3)nc3ccccc23)CC1.
What is the InChIKey of 3-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol?
The InChIKey is KDCUZTJMCYJDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-23-9-11-24(12-10-23)18-16-7-2-3-8-17(16)21-19(22-18)20-14-5-4-6-15(25)13-14/h2-8,13,25H,9-12H2,1H3,(H,20,21,22).
What are the key properties of 3-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol?
3-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol has a molecular weight of 335.41 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol is sourced from PubChem (CID 6941014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).