5-[4-[[2-(1,1-difluoroethyl)-5-fluoro-3-oxo-4H-quinolin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide

C24H26F3N5O2 — CID 163978495

IUPAC5-[4-[[2-(1,1-difluoroethyl)-5-fluoro-3-oxo-4H-quinolin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3F)CC(=O)C(C(C)(F)F)=N4)CC2)c(C)n1
InChIInChI=1S/C24H26F3N5O2/c1-14-19(7-6-18(29-14)23(34)28-3)32-10-8-31(9-11-32)13-15-4-5-17-16(21(15)25)12-20(33)22(30-17)24(2,26)27/h4-7H,8-13H2,1-3H3,(H,28,34)
InChIKeyMFALPVMZGUQZAX-UHFFFAOYSA-N
MW473.50 g/mol
LogP3.06
Rot. Bonds5

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

5-[4-[[2-(1,1-difluoroethyl)-5-fluoro-3-oxo-4H-quinolin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide (PubChem CID 163978495) has the molecular formula C24H26F3N5O2 and a molecular weight of 473.50 g/mol. Its IUPAC name is 5-[4-[[2-(1,1-difluoroethyl)-5-fluoro-3-oxo-4H-quinolin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[[2-(1,1-difluoroethyl)-5-fluoro-3-oxo-4H-quinolin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
PubChem CID163978495
Molecular FormulaC24H26F3N5O2
Molecular Weight473.50 g/mol
Exact Mass473.20
IUPAC Name5-[4-[[2-(1,1-difluoroethyl)-5-fluoro-3-oxo-4H-quinolin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3F)CC(=O)C(C(C)(F)F)=N4)CC2)c(C)n1
InChIInChI=1S/C24H26F3N5O2/c1-14-19(7-6-18(29-14)23(34)28-3)32-10-8-31(9-11-32)13-15-4-5-17-16(21(15)25)12-20(33)22(30-17)24(2,26)27/h4-7H,8-13H2,1-3H3,(H,28,34)
InChIKeyMFALPVMZGUQZAX-UHFFFAOYSA-N
XLogP3.06
TPSA77.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[2-(1,1-difluoroethyl)-5-fluoro-3-oxo-4H-quinolin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide?
The IUPAC name of 5-[4-[[2-(1,1-difluoroethyl)-5-fluoro-3-oxo-4H-quinolin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide (CID 163978495) is 5-[4-[[2-(1,1-difluoroethyl)-5-fluoro-3-oxo-4H-quinolin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[[2-(1,1-difluoroethyl)-5-fluoro-3-oxo-4H-quinolin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[[2-(1,1-difluoroethyl)-5-fluoro-3-oxo-4H-quinolin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide is CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3F)CC(=O)C(C(C)(F)F)=N4)CC2)c(C)n1.
What is the InChIKey of 5-[4-[[2-(1,1-difluoroethyl)-5-fluoro-3-oxo-4H-quinolin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide?
The InChIKey is MFALPVMZGUQZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O2/c1-14-19(7-6-18(29-14)23(34)28-3)32-10-8-31(9-11-32)13-15-4-5-17-16(21(15)25)12-20(33)22(30-17)24(2,26)27/h4-7H,8-13H2,1-3H3,(H,28,34).
What are the key properties of 5-[4-[[2-(1,1-difluoroethyl)-5-fluoro-3-oxo-4H-quinolin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide?
5-[4-[[2-(1,1-difluoroethyl)-5-fluoro-3-oxo-4H-quinolin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide has a molecular weight of 473.50 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[2-(1,1-difluoroethyl)-5-fluoro-3-oxo-4H-quinolin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 163978495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).