6-fluoro-8-methyl-3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one

C18H20FN3O3 — CID 97003666

IUPAC6-fluoro-8-methyl-3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one
SMILESCc1cc(F)cc2c(=O)c(C(=O)N3CCNC(=O)[C@H]3C(C)C)c[nH]c12
InChIInChI=1S/C18H20FN3O3/c1-9(2)15-17(24)20-4-5-22(15)18(25)13-8-21-14-10(3)6-11(19)7-12(14)16(13)23/h6-9,15H,4-5H2,1-3H3,(H,20,24)(H,21,23)/t15-/m1/s1
InChIKeyKAEUKXHRURBPHA-OAHLLOKOSA-N
MW345.37 g/mol
LogP1.57
Rot. Bonds2

About 6-fluoro-8-methyl-3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one

6-fluoro-8-methyl-3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one (PubChem CID 97003666) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 6-fluoro-8-methyl-3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-fluoro-8-methyl-3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one
PubChem CID97003666
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name6-fluoro-8-methyl-3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one
SMILESCc1cc(F)cc2c(=O)c(C(=O)N3CCNC(=O)[C@H]3C(C)C)c[nH]c12
InChIInChI=1S/C18H20FN3O3/c1-9(2)15-17(24)20-4-5-22(15)18(25)13-8-21-14-10(3)6-11(19)7-12(14)16(13)23/h6-9,15H,4-5H2,1-3H3,(H,20,24)(H,21,23)/t15-/m1/s1
InChIKeyKAEUKXHRURBPHA-OAHLLOKOSA-N
XLogP1.57
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-methyl-3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one?
The IUPAC name of 6-fluoro-8-methyl-3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one (CID 97003666) is 6-fluoro-8-methyl-3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-fluoro-8-methyl-3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one?
The canonical SMILES for 6-fluoro-8-methyl-3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one is Cc1cc(F)cc2c(=O)c(C(=O)N3CCNC(=O)[C@H]3C(C)C)c[nH]c12.
What is the InChIKey of 6-fluoro-8-methyl-3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one?
The InChIKey is KAEUKXHRURBPHA-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-9(2)15-17(24)20-4-5-22(15)18(25)13-8-21-14-10(3)6-11(19)7-12(14)16(13)23/h6-9,15H,4-5H2,1-3H3,(H,20,24)(H,21,23)/t15-/m1/s1.
What are the key properties of 6-fluoro-8-methyl-3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one?
6-fluoro-8-methyl-3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one has a molecular weight of 345.37 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-methyl-3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one is sourced from PubChem (CID 97003666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).