1-[5-chloro-4-[[7-fluoro-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-6-yl]methyl]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide

C26H30ClFN6O4 — CID 153258551

IUPAC1-[5-chloro-4-[[7-fluoro-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-6-yl]methyl]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCNC(=O)COc1cc2cc(Cc3nc(N4CCC(C(=O)N(C)C)CC4)ncc3Cl)c(F)cc2n(C)c1=O
InChIInChI=1S/C26H30ClFN6O4/c1-29-23(35)14-38-22-11-17-9-16(19(28)12-21(17)33(4)25(22)37)10-20-18(27)13-30-26(31-20)34-7-5-15(6-8-34)24(36)32(2)3/h9,11-13,15H,5-8,10,14H2,1-4H3,(H,29,35)
InChIKeyWUTKPFRNDIVONX-UHFFFAOYSA-N
MW545.02 g/mol
LogP2.14
Rot. Bonds7

About 1-[5-chloro-4-[[7-fluoro-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-6-yl]methyl]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide

1-[5-chloro-4-[[7-fluoro-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-6-yl]methyl]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 153258551) has the molecular formula C26H30ClFN6O4 and a molecular weight of 545.02 g/mol. Its IUPAC name is 1-[5-chloro-4-[[7-fluoro-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-6-yl]methyl]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-chloro-4-[[7-fluoro-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-6-yl]methyl]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide
PubChem CID153258551
Molecular FormulaC26H30ClFN6O4
Molecular Weight545.02 g/mol
Exact Mass544.20
IUPAC Name1-[5-chloro-4-[[7-fluoro-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-6-yl]methyl]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCNC(=O)COc1cc2cc(Cc3nc(N4CCC(C(=O)N(C)C)CC4)ncc3Cl)c(F)cc2n(C)c1=O
InChIInChI=1S/C26H30ClFN6O4/c1-29-23(35)14-38-22-11-17-9-16(19(28)12-21(17)33(4)25(22)37)10-20-18(27)13-30-26(31-20)34-7-5-15(6-8-34)24(36)32(2)3/h9,11-13,15H,5-8,10,14H2,1-4H3,(H,29,35)
InChIKeyWUTKPFRNDIVONX-UHFFFAOYSA-N
XLogP2.14
TPSA109.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.02
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[5-chloro-4-[[7-fluoro-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-6-yl]methyl]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-4-[[7-fluoro-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-6-yl]methyl]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-[5-chloro-4-[[7-fluoro-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-6-yl]methyl]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide (CID 153258551) is 1-[5-chloro-4-[[7-fluoro-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-6-yl]methyl]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[5-chloro-4-[[7-fluoro-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-6-yl]methyl]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[5-chloro-4-[[7-fluoro-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-6-yl]methyl]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide is CNC(=O)COc1cc2cc(Cc3nc(N4CCC(C(=O)N(C)C)CC4)ncc3Cl)c(F)cc2n(C)c1=O.
What is the InChIKey of 1-[5-chloro-4-[[7-fluoro-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-6-yl]methyl]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is WUTKPFRNDIVONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClFN6O4/c1-29-23(35)14-38-22-11-17-9-16(19(28)12-21(17)33(4)25(22)37)10-20-18(27)13-30-26(31-20)34-7-5-15(6-8-34)24(36)32(2)3/h9,11-13,15H,5-8,10,14H2,1-4H3,(H,29,35).
What are the key properties of 1-[5-chloro-4-[[7-fluoro-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-6-yl]methyl]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide?
1-[5-chloro-4-[[7-fluoro-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-6-yl]methyl]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 545.02 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-4-[[7-fluoro-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-6-yl]methyl]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 153258551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).