6-bromo-2-(2-fluorophenyl)-4-piperidin-1-ylquinazoline

C19H17BrFN3 — CID 59213522

IUPAC6-bromo-2-(2-fluorophenyl)-4-piperidin-1-ylquinazoline
SMILESFc1ccccc1-c1nc(N2CCCCC2)c2cc(Br)ccc2n1
InChIInChI=1S/C19H17BrFN3/c20-13-8-9-17-15(12-13)19(24-10-4-1-5-11-24)23-18(22-17)14-6-2-3-7-16(14)21/h2-3,6-9,12H,1,4-5,10-11H2
InChIKeyLXFDPGLDWPVRTN-UHFFFAOYSA-N
MW386.27 g/mol
LogP5.19
Rot. Bonds2

About 6-bromo-2-(2-fluorophenyl)-4-piperidin-1-ylquinazoline

6-bromo-2-(2-fluorophenyl)-4-piperidin-1-ylquinazoline (PubChem CID 59213522) has the molecular formula C19H17BrFN3 and a molecular weight of 386.27 g/mol. Its IUPAC name is 6-bromo-2-(2-fluorophenyl)-4-piperidin-1-ylquinazoline.

Molecular Properties

Compound Name6-bromo-2-(2-fluorophenyl)-4-piperidin-1-ylquinazoline
PubChem CID59213522
Molecular FormulaC19H17BrFN3
Molecular Weight386.27 g/mol
Exact Mass385.06
IUPAC Name6-bromo-2-(2-fluorophenyl)-4-piperidin-1-ylquinazoline
SMILESFc1ccccc1-c1nc(N2CCCCC2)c2cc(Br)ccc2n1
InChIInChI=1S/C19H17BrFN3/c20-13-8-9-17-15(12-13)19(24-10-4-1-5-11-24)23-18(22-17)14-6-2-3-7-16(14)21/h2-3,6-9,12H,1,4-5,10-11H2
InChIKeyLXFDPGLDWPVRTN-UHFFFAOYSA-N
XLogP5.19
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.27
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-fluorophenyl)-4-piperidin-1-ylquinazoline?
The IUPAC name of 6-bromo-2-(2-fluorophenyl)-4-piperidin-1-ylquinazoline (CID 59213522) is 6-bromo-2-(2-fluorophenyl)-4-piperidin-1-ylquinazoline.
What is the SMILES notation for 6-bromo-2-(2-fluorophenyl)-4-piperidin-1-ylquinazoline?
The canonical SMILES for 6-bromo-2-(2-fluorophenyl)-4-piperidin-1-ylquinazoline is Fc1ccccc1-c1nc(N2CCCCC2)c2cc(Br)ccc2n1.
What is the InChIKey of 6-bromo-2-(2-fluorophenyl)-4-piperidin-1-ylquinazoline?
The InChIKey is LXFDPGLDWPVRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrFN3/c20-13-8-9-17-15(12-13)19(24-10-4-1-5-11-24)23-18(22-17)14-6-2-3-7-16(14)21/h2-3,6-9,12H,1,4-5,10-11H2.
What are the key properties of 6-bromo-2-(2-fluorophenyl)-4-piperidin-1-ylquinazoline?
6-bromo-2-(2-fluorophenyl)-4-piperidin-1-ylquinazoline has a molecular weight of 386.27 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-fluorophenyl)-4-piperidin-1-ylquinazoline is sourced from PubChem (CID 59213522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).