2-(3,4-difluorophenyl)-4-piperidin-1-ylquinazoline

C19H17F2N3 — CID 25133120

IUPAC2-(3,4-difluorophenyl)-4-piperidin-1-ylquinazoline
SMILESFc1ccc(-c2nc(N3CCCCC3)c3ccccc3n2)cc1F
InChIInChI=1S/C19H17F2N3/c20-15-9-8-13(12-16(15)21)18-22-17-7-3-2-6-14(17)19(23-18)24-10-4-1-5-11-24/h2-3,6-9,12H,1,4-5,10-11H2
InChIKeyOCONERQNDAGBOT-UHFFFAOYSA-N
MW325.36 g/mol
LogP4.57
Rot. Bonds2

About 2-(3,4-difluorophenyl)-4-piperidin-1-ylquinazoline

2-(3,4-difluorophenyl)-4-piperidin-1-ylquinazoline (PubChem CID 25133120) has the molecular formula C19H17F2N3 and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-4-piperidin-1-ylquinazoline.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-4-piperidin-1-ylquinazoline
PubChem CID25133120
Molecular FormulaC19H17F2N3
Molecular Weight325.36 g/mol
Exact Mass325.14
IUPAC Name2-(3,4-difluorophenyl)-4-piperidin-1-ylquinazoline
SMILESFc1ccc(-c2nc(N3CCCCC3)c3ccccc3n2)cc1F
InChIInChI=1S/C19H17F2N3/c20-15-9-8-13(12-16(15)21)18-22-17-7-3-2-6-14(17)19(23-18)24-10-4-1-5-11-24/h2-3,6-9,12H,1,4-5,10-11H2
InChIKeyOCONERQNDAGBOT-UHFFFAOYSA-N
XLogP4.57
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-4-piperidin-1-ylquinazoline?
The IUPAC name of 2-(3,4-difluorophenyl)-4-piperidin-1-ylquinazoline (CID 25133120) is 2-(3,4-difluorophenyl)-4-piperidin-1-ylquinazoline.
What is the SMILES notation for 2-(3,4-difluorophenyl)-4-piperidin-1-ylquinazoline?
The canonical SMILES for 2-(3,4-difluorophenyl)-4-piperidin-1-ylquinazoline is Fc1ccc(-c2nc(N3CCCCC3)c3ccccc3n2)cc1F.
What is the InChIKey of 2-(3,4-difluorophenyl)-4-piperidin-1-ylquinazoline?
The InChIKey is OCONERQNDAGBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3/c20-15-9-8-13(12-16(15)21)18-22-17-7-3-2-6-14(17)19(23-18)24-10-4-1-5-11-24/h2-3,6-9,12H,1,4-5,10-11H2.
What are the key properties of 2-(3,4-difluorophenyl)-4-piperidin-1-ylquinazoline?
2-(3,4-difluorophenyl)-4-piperidin-1-ylquinazoline has a molecular weight of 325.36 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-4-piperidin-1-ylquinazoline is sourced from PubChem (CID 25133120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).