7-fluoro-4-(4-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one

C15H17FN2O3 — CID 78843557

IUPAC7-fluoro-4-(4-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CC(C(=O)N2CCC(O)CC2)c2ccc(F)cc2N1
InChIInChI=1S/C15H17FN2O3/c16-9-1-2-11-12(8-14(20)17-13(11)7-9)15(21)18-5-3-10(19)4-6-18/h1-2,7,10,12,19H,3-6,8H2,(H,17,20)
InChIKeyYUDXALPNDCWQKX-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.23
Rot. Bonds1

About 7-fluoro-4-(4-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one

7-fluoro-4-(4-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 78843557) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 7-fluoro-4-(4-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-4-(4-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID78843557
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name7-fluoro-4-(4-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CC(C(=O)N2CCC(O)CC2)c2ccc(F)cc2N1
InChIInChI=1S/C15H17FN2O3/c16-9-1-2-11-12(8-14(20)17-13(11)7-9)15(21)18-5-3-10(19)4-6-18/h1-2,7,10,12,19H,3-6,8H2,(H,17,20)
InChIKeyYUDXALPNDCWQKX-UHFFFAOYSA-N
XLogP1.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-(4-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-4-(4-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one (CID 78843557) is 7-fluoro-4-(4-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-4-(4-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-4-(4-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one is O=C1CC(C(=O)N2CCC(O)CC2)c2ccc(F)cc2N1.
What is the InChIKey of 7-fluoro-4-(4-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is YUDXALPNDCWQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c16-9-1-2-11-12(8-14(20)17-13(11)7-9)15(21)18-5-3-10(19)4-6-18/h1-2,7,10,12,19H,3-6,8H2,(H,17,20).
What are the key properties of 7-fluoro-4-(4-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
7-fluoro-4-(4-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 292.31 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-(4-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 78843557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).