2-(7-methyl-4-piperidin-1-ylquinazolin-2-yl)phenol

C20H21N3O — CID 136638558

IUPAC2-(7-methyl-4-piperidin-1-ylquinazolin-2-yl)phenol
SMILESCc1ccc2c(N3CCCCC3)nc(-c3ccccc3O)nc2c1
InChIInChI=1S/C20H21N3O/c1-14-9-10-15-17(13-14)21-19(16-7-3-4-8-18(16)24)22-20(15)23-11-5-2-6-12-23/h3-4,7-10,13,24H,2,5-6,11-12H2,1H3
InChIKeyOQAWPYBBPDNJBN-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.30
Rot. Bonds2

About 2-(7-methyl-4-piperidin-1-ylquinazolin-2-yl)phenol

2-(7-methyl-4-piperidin-1-ylquinazolin-2-yl)phenol (PubChem CID 136638558) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-(7-methyl-4-piperidin-1-ylquinazolin-2-yl)phenol.

Molecular Properties

Compound Name2-(7-methyl-4-piperidin-1-ylquinazolin-2-yl)phenol
PubChem CID136638558
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-(7-methyl-4-piperidin-1-ylquinazolin-2-yl)phenol
SMILESCc1ccc2c(N3CCCCC3)nc(-c3ccccc3O)nc2c1
InChIInChI=1S/C20H21N3O/c1-14-9-10-15-17(13-14)21-19(16-7-3-4-8-18(16)24)22-20(15)23-11-5-2-6-12-23/h3-4,7-10,13,24H,2,5-6,11-12H2,1H3
InChIKeyOQAWPYBBPDNJBN-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-4-piperidin-1-ylquinazolin-2-yl)phenol?
The IUPAC name of 2-(7-methyl-4-piperidin-1-ylquinazolin-2-yl)phenol (CID 136638558) is 2-(7-methyl-4-piperidin-1-ylquinazolin-2-yl)phenol.
What is the SMILES notation for 2-(7-methyl-4-piperidin-1-ylquinazolin-2-yl)phenol?
The canonical SMILES for 2-(7-methyl-4-piperidin-1-ylquinazolin-2-yl)phenol is Cc1ccc2c(N3CCCCC3)nc(-c3ccccc3O)nc2c1.
What is the InChIKey of 2-(7-methyl-4-piperidin-1-ylquinazolin-2-yl)phenol?
The InChIKey is OQAWPYBBPDNJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14-9-10-15-17(13-14)21-19(16-7-3-4-8-18(16)24)22-20(15)23-11-5-2-6-12-23/h3-4,7-10,13,24H,2,5-6,11-12H2,1H3.
What are the key properties of 2-(7-methyl-4-piperidin-1-ylquinazolin-2-yl)phenol?
2-(7-methyl-4-piperidin-1-ylquinazolin-2-yl)phenol has a molecular weight of 319.41 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-4-piperidin-1-ylquinazolin-2-yl)phenol is sourced from PubChem (CID 136638558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).