7-fluoro-3-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]quinazolin-4-one

C18H24FN3O — CID 39791222

IUPAC7-fluoro-3-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]quinazolin-4-one
SMILESCC(C)N1CCCC[C@@H]1CCn1cnc2cc(F)ccc2c1=O
InChIInChI=1S/C18H24FN3O/c1-13(2)22-9-4-3-5-15(22)8-10-21-12-20-17-11-14(19)6-7-16(17)18(21)23/h6-7,11-13,15H,3-5,8-10H2,1-2H3/t15-/m1/s1
InChIKeyLMBFFNLTQBFUTD-OAHLLOKOSA-N
MW317.41 g/mol
LogP3.19
Rot. Bonds4

About 7-fluoro-3-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]quinazolin-4-one

7-fluoro-3-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]quinazolin-4-one (PubChem CID 39791222) has the molecular formula C18H24FN3O and a molecular weight of 317.41 g/mol. Its IUPAC name is 7-fluoro-3-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-3-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]quinazolin-4-one
PubChem CID39791222
Molecular FormulaC18H24FN3O
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC Name7-fluoro-3-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]quinazolin-4-one
SMILESCC(C)N1CCCC[C@@H]1CCn1cnc2cc(F)ccc2c1=O
InChIInChI=1S/C18H24FN3O/c1-13(2)22-9-4-3-5-15(22)8-10-21-12-20-17-11-14(19)6-7-16(17)18(21)23/h6-7,11-13,15H,3-5,8-10H2,1-2H3/t15-/m1/s1
InChIKeyLMBFFNLTQBFUTD-OAHLLOKOSA-N
XLogP3.19
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]quinazolin-4-one?
The IUPAC name of 7-fluoro-3-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]quinazolin-4-one (CID 39791222) is 7-fluoro-3-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]quinazolin-4-one.
What is the SMILES notation for 7-fluoro-3-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]quinazolin-4-one?
The canonical SMILES for 7-fluoro-3-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]quinazolin-4-one is CC(C)N1CCCC[C@@H]1CCn1cnc2cc(F)ccc2c1=O.
What is the InChIKey of 7-fluoro-3-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]quinazolin-4-one?
The InChIKey is LMBFFNLTQBFUTD-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24FN3O/c1-13(2)22-9-4-3-5-15(22)8-10-21-12-20-17-11-14(19)6-7-16(17)18(21)23/h6-7,11-13,15H,3-5,8-10H2,1-2H3/t15-/m1/s1.
What are the key properties of 7-fluoro-3-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]quinazolin-4-one?
7-fluoro-3-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]quinazolin-4-one has a molecular weight of 317.41 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]quinazolin-4-one is sourced from PubChem (CID 39791222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).