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

C20H21N3O — CID 2921233

IUPAC2-[4-(3-methylpiperidin-1-yl)quinazolin-2-yl]phenol
SMILESCC1CCCN(c2nc(-c3ccccc3O)nc3ccccc23)C1
InChIInChI=1S/C20H21N3O/c1-14-7-6-12-23(13-14)20-15-8-2-4-10-17(15)21-19(22-20)16-9-3-5-11-18(16)24/h2-5,8-11,14,24H,6-7,12-13H2,1H3
InChIKeyOEXVEBYSMKGXCQ-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.24
Rot. Bonds2

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

2-[4-(3-methylpiperidin-1-yl)quinazolin-2-yl]phenol (PubChem CID 2921233) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[4-(3-methylpiperidin-1-yl)quinazolin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(3-methylpiperidin-1-yl)quinazolin-2-yl]phenol
PubChem CID2921233
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-[4-(3-methylpiperidin-1-yl)quinazolin-2-yl]phenol
SMILESCC1CCCN(c2nc(-c3ccccc3O)nc3ccccc23)C1
InChIInChI=1S/C20H21N3O/c1-14-7-6-12-23(13-14)20-15-8-2-4-10-17(15)21-19(22-20)16-9-3-5-11-18(16)24/h2-5,8-11,14,24H,6-7,12-13H2,1H3
InChIKeyOEXVEBYSMKGXCQ-UHFFFAOYSA-N
XLogP4.24
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylpiperidin-1-yl)quinazolin-2-yl]phenol?
The IUPAC name of 2-[4-(3-methylpiperidin-1-yl)quinazolin-2-yl]phenol (CID 2921233) is 2-[4-(3-methylpiperidin-1-yl)quinazolin-2-yl]phenol.
What is the SMILES notation for 2-[4-(3-methylpiperidin-1-yl)quinazolin-2-yl]phenol?
The canonical SMILES for 2-[4-(3-methylpiperidin-1-yl)quinazolin-2-yl]phenol is CC1CCCN(c2nc(-c3ccccc3O)nc3ccccc23)C1.
What is the InChIKey of 2-[4-(3-methylpiperidin-1-yl)quinazolin-2-yl]phenol?
The InChIKey is OEXVEBYSMKGXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14-7-6-12-23(13-14)20-15-8-2-4-10-17(15)21-19(22-20)16-9-3-5-11-18(16)24/h2-5,8-11,14,24H,6-7,12-13H2,1H3.
What are the key properties of 2-[4-(3-methylpiperidin-1-yl)quinazolin-2-yl]phenol?
2-[4-(3-methylpiperidin-1-yl)quinazolin-2-yl]phenol has a molecular weight of 319.41 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylpiperidin-1-yl)quinazolin-2-yl]phenol is sourced from PubChem (CID 2921233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).