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

C19H20N4O — CID 879195

IUPAC2-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]phenol
SMILESCN1CCN(c2nc(-c3ccccc3O)nc3ccccc23)CC1
InChIInChI=1S/C19H20N4O/c1-22-10-12-23(13-11-22)19-14-6-2-4-8-16(14)20-18(21-19)15-7-3-5-9-17(15)24/h2-9,24H,10-13H2,1H3
InChIKeyAAHWTMBAENYAAT-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.75
Rot. Bonds2

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

2-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]phenol (PubChem CID 879195) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]phenol
PubChem CID879195
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]phenol
SMILESCN1CCN(c2nc(-c3ccccc3O)nc3ccccc23)CC1
InChIInChI=1S/C19H20N4O/c1-22-10-12-23(13-11-22)19-14-6-2-4-8-16(14)20-18(21-19)15-7-3-5-9-17(15)24/h2-9,24H,10-13H2,1H3
InChIKeyAAHWTMBAENYAAT-UHFFFAOYSA-N
XLogP2.75
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]phenol?
The IUPAC name of 2-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]phenol (CID 879195) is 2-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]phenol.
What is the SMILES notation for 2-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]phenol?
The canonical SMILES for 2-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]phenol is CN1CCN(c2nc(-c3ccccc3O)nc3ccccc23)CC1.
What is the InChIKey of 2-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]phenol?
The InChIKey is AAHWTMBAENYAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-22-10-12-23(13-11-22)19-14-6-2-4-8-16(14)20-18(21-19)15-7-3-5-9-17(15)24/h2-9,24H,10-13H2,1H3.
What are the key properties of 2-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]phenol?
2-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]phenol has a molecular weight of 320.40 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]phenol is sourced from PubChem (CID 879195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).