5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide

C22H24FN5O2 — CID 163655674

IUPAC5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide
SMILESCC1=Nc2ccc(CN3CCN(c4ccc(C(N)=O)nc4C)CC3)c(F)c2CC1=O
InChIInChI=1S/C22H24FN5O2/c1-13-19(6-5-18(25-13)22(24)30)28-9-7-27(8-10-28)12-15-3-4-17-16(21(15)23)11-20(29)14(2)26-17/h3-6H,7-12H2,1-2H3,(H2,24,30)
InChIKeyGTTUNDZFPRRXLZ-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.17
Rot. Bonds4

About 5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide

5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide (PubChem CID 163655674) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide
PubChem CID163655674
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC Name5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide
SMILESCC1=Nc2ccc(CN3CCN(c4ccc(C(N)=O)nc4C)CC3)c(F)c2CC1=O
InChIInChI=1S/C22H24FN5O2/c1-13-19(6-5-18(25-13)22(24)30)28-9-7-27(8-10-28)12-15-3-4-17-16(21(15)23)11-20(29)14(2)26-17/h3-6H,7-12H2,1-2H3,(H2,24,30)
InChIKeyGTTUNDZFPRRXLZ-UHFFFAOYSA-N
XLogP2.17
TPSA91.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of 5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide (CID 163655674) is 5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide is CC1=Nc2ccc(CN3CCN(c4ccc(C(N)=O)nc4C)CC3)c(F)c2CC1=O.
What is the InChIKey of 5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is GTTUNDZFPRRXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c1-13-19(6-5-18(25-13)22(24)30)28-9-7-27(8-10-28)12-15-3-4-17-16(21(15)23)11-20(29)14(2)26-17/h3-6H,7-12H2,1-2H3,(H2,24,30).
What are the key properties of 5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide?
5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 163655674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).