N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide

C18H21FN6O3 — CID 154756818

IUPACN-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide
SMILESCc1noc(C2CN(C(=O)Nc3cc4c(cc3F)CCC(=O)N4)CCN2C)n1
InChIInChI=1S/C18H21FN6O3/c1-10-20-17(28-23-10)15-9-25(6-5-24(15)2)18(27)22-14-8-13-11(7-12(14)19)3-4-16(26)21-13/h7-8,15H,3-6,9H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyQFLLGEIQHIZKFD-UHFFFAOYSA-N
MW388.40 g/mol
LogP1.92
Rot. Bonds2

About N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide

N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide (PubChem CID 154756818) has the molecular formula C18H21FN6O3 and a molecular weight of 388.40 g/mol. Its IUPAC name is N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide
PubChem CID154756818
Molecular FormulaC18H21FN6O3
Molecular Weight388.40 g/mol
Exact Mass388.17
IUPAC NameN-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide
SMILESCc1noc(C2CN(C(=O)Nc3cc4c(cc3F)CCC(=O)N4)CCN2C)n1
InChIInChI=1S/C18H21FN6O3/c1-10-20-17(28-23-10)15-9-25(6-5-24(15)2)18(27)22-14-8-13-11(7-12(14)19)3-4-16(26)21-13/h7-8,15H,3-6,9H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyQFLLGEIQHIZKFD-UHFFFAOYSA-N
XLogP1.92
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide?
The IUPAC name of N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide (CID 154756818) is N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide is Cc1noc(C2CN(C(=O)Nc3cc4c(cc3F)CCC(=O)N4)CCN2C)n1.
What is the InChIKey of N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide?
The InChIKey is QFLLGEIQHIZKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN6O3/c1-10-20-17(28-23-10)15-9-25(6-5-24(15)2)18(27)22-14-8-13-11(7-12(14)19)3-4-16(26)21-13/h7-8,15H,3-6,9H2,1-2H3,(H,21,26)(H,22,27).
What are the key properties of N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide?
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide has a molecular weight of 388.40 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide is sourced from PubChem (CID 154756818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).