4-[(3R)-3-phenoxypiperidin-1-yl]-2-pyridin-3-ylquinazoline

C24H22N4O — CID 137470057

IUPAC4-[(3R)-3-phenoxypiperidin-1-yl]-2-pyridin-3-ylquinazoline
SMILESc1ccc(O[C@@H]2CCCN(c3nc(-c4cccnc4)nc4ccccc34)C2)cc1
InChIInChI=1S/C24H22N4O/c1-2-9-19(10-3-1)29-20-11-7-15-28(17-20)24-21-12-4-5-13-22(21)26-23(27-24)18-8-6-14-25-16-18/h1-6,8-10,12-14,16,20H,7,11,15,17H2/t20-/m1/s1
InChIKeyWVMAGUMOQGLWNQ-HXUWFJFHSA-N
MW382.47 g/mol
LogP4.74
Rot. Bonds4

About 4-[(3R)-3-phenoxypiperidin-1-yl]-2-pyridin-3-ylquinazoline

4-[(3R)-3-phenoxypiperidin-1-yl]-2-pyridin-3-ylquinazoline (PubChem CID 137470057) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 4-[(3R)-3-phenoxypiperidin-1-yl]-2-pyridin-3-ylquinazoline.

Molecular Properties

Compound Name4-[(3R)-3-phenoxypiperidin-1-yl]-2-pyridin-3-ylquinazoline
PubChem CID137470057
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name4-[(3R)-3-phenoxypiperidin-1-yl]-2-pyridin-3-ylquinazoline
SMILESc1ccc(O[C@@H]2CCCN(c3nc(-c4cccnc4)nc4ccccc34)C2)cc1
InChIInChI=1S/C24H22N4O/c1-2-9-19(10-3-1)29-20-11-7-15-28(17-20)24-21-12-4-5-13-22(21)26-23(27-24)18-8-6-14-25-16-18/h1-6,8-10,12-14,16,20H,7,11,15,17H2/t20-/m1/s1
InChIKeyWVMAGUMOQGLWNQ-HXUWFJFHSA-N
XLogP4.74
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-phenoxypiperidin-1-yl]-2-pyridin-3-ylquinazoline?
The IUPAC name of 4-[(3R)-3-phenoxypiperidin-1-yl]-2-pyridin-3-ylquinazoline (CID 137470057) is 4-[(3R)-3-phenoxypiperidin-1-yl]-2-pyridin-3-ylquinazoline.
What is the SMILES notation for 4-[(3R)-3-phenoxypiperidin-1-yl]-2-pyridin-3-ylquinazoline?
The canonical SMILES for 4-[(3R)-3-phenoxypiperidin-1-yl]-2-pyridin-3-ylquinazoline is c1ccc(O[C@@H]2CCCN(c3nc(-c4cccnc4)nc4ccccc34)C2)cc1.
What is the InChIKey of 4-[(3R)-3-phenoxypiperidin-1-yl]-2-pyridin-3-ylquinazoline?
The InChIKey is WVMAGUMOQGLWNQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H22N4O/c1-2-9-19(10-3-1)29-20-11-7-15-28(17-20)24-21-12-4-5-13-22(21)26-23(27-24)18-8-6-14-25-16-18/h1-6,8-10,12-14,16,20H,7,11,15,17H2/t20-/m1/s1.
What are the key properties of 4-[(3R)-3-phenoxypiperidin-1-yl]-2-pyridin-3-ylquinazoline?
4-[(3R)-3-phenoxypiperidin-1-yl]-2-pyridin-3-ylquinazoline has a molecular weight of 382.47 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-phenoxypiperidin-1-yl]-2-pyridin-3-ylquinazoline is sourced from PubChem (CID 137470057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).