6-fluoro-3-[(3R)-1-methylpiperidin-3-yl]quinazolin-4-one

C14H16FN3O — CID 146947457

IUPAC6-fluoro-3-[(3R)-1-methylpiperidin-3-yl]quinazolin-4-one
SMILESCN1CCC[C@@H](n2cnc3ccc(F)cc3c2=O)C1
InChIInChI=1S/C14H16FN3O/c1-17-6-2-3-11(8-17)18-9-16-13-5-4-10(15)7-12(13)14(18)19/h4-5,7,9,11H,2-3,6,8H2,1H3/t11-/m1/s1
InChIKeyAIBIZGZRVLPCCM-LLVKDONJSA-N
MW261.30 g/mol
LogP1.80
Rot. Bonds1

About 6-fluoro-3-[(3R)-1-methylpiperidin-3-yl]quinazolin-4-one

6-fluoro-3-[(3R)-1-methylpiperidin-3-yl]quinazolin-4-one (PubChem CID 146947457) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 6-fluoro-3-[(3R)-1-methylpiperidin-3-yl]quinazolin-4-one.

Molecular Properties

Compound Name6-fluoro-3-[(3R)-1-methylpiperidin-3-yl]quinazolin-4-one
PubChem CID146947457
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name6-fluoro-3-[(3R)-1-methylpiperidin-3-yl]quinazolin-4-one
SMILESCN1CCC[C@@H](n2cnc3ccc(F)cc3c2=O)C1
InChIInChI=1S/C14H16FN3O/c1-17-6-2-3-11(8-17)18-9-16-13-5-4-10(15)7-12(13)14(18)19/h4-5,7,9,11H,2-3,6,8H2,1H3/t11-/m1/s1
InChIKeyAIBIZGZRVLPCCM-LLVKDONJSA-N
XLogP1.80
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[(3R)-1-methylpiperidin-3-yl]quinazolin-4-one?
The IUPAC name of 6-fluoro-3-[(3R)-1-methylpiperidin-3-yl]quinazolin-4-one (CID 146947457) is 6-fluoro-3-[(3R)-1-methylpiperidin-3-yl]quinazolin-4-one.
What is the SMILES notation for 6-fluoro-3-[(3R)-1-methylpiperidin-3-yl]quinazolin-4-one?
The canonical SMILES for 6-fluoro-3-[(3R)-1-methylpiperidin-3-yl]quinazolin-4-one is CN1CCC[C@@H](n2cnc3ccc(F)cc3c2=O)C1.
What is the InChIKey of 6-fluoro-3-[(3R)-1-methylpiperidin-3-yl]quinazolin-4-one?
The InChIKey is AIBIZGZRVLPCCM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-17-6-2-3-11(8-17)18-9-16-13-5-4-10(15)7-12(13)14(18)19/h4-5,7,9,11H,2-3,6,8H2,1H3/t11-/m1/s1.
What are the key properties of 6-fluoro-3-[(3R)-1-methylpiperidin-3-yl]quinazolin-4-one?
6-fluoro-3-[(3R)-1-methylpiperidin-3-yl]quinazolin-4-one has a molecular weight of 261.30 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[(3R)-1-methylpiperidin-3-yl]quinazolin-4-one is sourced from PubChem (CID 146947457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).