6-bromo-2-(1-cyclopropylpiperidin-4-yl)-8-fluoro-3H-quinazolin-4-one

C16H17BrFN3O — CID 153382177

IUPAC6-bromo-2-(1-cyclopropylpiperidin-4-yl)-8-fluoro-3H-quinazolin-4-one
SMILESO=c1[nH]c(C2CCN(C3CC3)CC2)nc2c(F)cc(Br)cc12
InChIInChI=1S/C16H17BrFN3O/c17-10-7-12-14(13(18)8-10)19-15(20-16(12)22)9-3-5-21(6-4-9)11-1-2-11/h7-9,11H,1-6H2,(H,19,20,22)
InChIKeySLHBDSJPHRURGW-UHFFFAOYSA-N
MW366.23 g/mol
LogP3.17
Rot. Bonds2

About 6-bromo-2-(1-cyclopropylpiperidin-4-yl)-8-fluoro-3H-quinazolin-4-one

6-bromo-2-(1-cyclopropylpiperidin-4-yl)-8-fluoro-3H-quinazolin-4-one (PubChem CID 153382177) has the molecular formula C16H17BrFN3O and a molecular weight of 366.23 g/mol. Its IUPAC name is 6-bromo-2-(1-cyclopropylpiperidin-4-yl)-8-fluoro-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-2-(1-cyclopropylpiperidin-4-yl)-8-fluoro-3H-quinazolin-4-one
PubChem CID153382177
Molecular FormulaC16H17BrFN3O
Molecular Weight366.23 g/mol
Exact Mass365.05
IUPAC Name6-bromo-2-(1-cyclopropylpiperidin-4-yl)-8-fluoro-3H-quinazolin-4-one
SMILESO=c1[nH]c(C2CCN(C3CC3)CC2)nc2c(F)cc(Br)cc12
InChIInChI=1S/C16H17BrFN3O/c17-10-7-12-14(13(18)8-10)19-15(20-16(12)22)9-3-5-21(6-4-9)11-1-2-11/h7-9,11H,1-6H2,(H,19,20,22)
InChIKeySLHBDSJPHRURGW-UHFFFAOYSA-N
XLogP3.17
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-2-(1-cyclopropylpiperidin-4-yl)-8-fluoro-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(1-cyclopropylpiperidin-4-yl)-8-fluoro-3H-quinazolin-4-one?
The IUPAC name of 6-bromo-2-(1-cyclopropylpiperidin-4-yl)-8-fluoro-3H-quinazolin-4-one (CID 153382177) is 6-bromo-2-(1-cyclopropylpiperidin-4-yl)-8-fluoro-3H-quinazolin-4-one.
What is the SMILES notation for 6-bromo-2-(1-cyclopropylpiperidin-4-yl)-8-fluoro-3H-quinazolin-4-one?
The canonical SMILES for 6-bromo-2-(1-cyclopropylpiperidin-4-yl)-8-fluoro-3H-quinazolin-4-one is O=c1[nH]c(C2CCN(C3CC3)CC2)nc2c(F)cc(Br)cc12.
What is the InChIKey of 6-bromo-2-(1-cyclopropylpiperidin-4-yl)-8-fluoro-3H-quinazolin-4-one?
The InChIKey is SLHBDSJPHRURGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN3O/c17-10-7-12-14(13(18)8-10)19-15(20-16(12)22)9-3-5-21(6-4-9)11-1-2-11/h7-9,11H,1-6H2,(H,19,20,22).
What are the key properties of 6-bromo-2-(1-cyclopropylpiperidin-4-yl)-8-fluoro-3H-quinazolin-4-one?
6-bromo-2-(1-cyclopropylpiperidin-4-yl)-8-fluoro-3H-quinazolin-4-one has a molecular weight of 366.23 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(1-cyclopropylpiperidin-4-yl)-8-fluoro-3H-quinazolin-4-one is sourced from PubChem (CID 153382177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).