N-[1-[3-(6,7-difluoro-2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]-2-methylpropanamide

C21H31F2N3O2 — CID 70254769

IUPACN-[1-[3-(6,7-difluoro-2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(CCCN2C(=O)CCC3=CC(F)C(F)C=C32)CC1
InChIInChI=1S/C21H31F2N3O2/c1-14(2)21(28)24-16-6-10-25(11-7-16)8-3-9-26-19-13-18(23)17(22)12-15(19)4-5-20(26)27/h12-14,16-18H,3-11H2,1-2H3,(H,24,28)
InChIKeyFCRZFMGRHVVEKL-UHFFFAOYSA-N
MW395.49 g/mol
LogP2.74
Rot. Bonds6

About N-[1-[3-(6,7-difluoro-2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]-2-methylpropanamide

N-[1-[3-(6,7-difluoro-2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]-2-methylpropanamide (PubChem CID 70254769) has the molecular formula C21H31F2N3O2 and a molecular weight of 395.49 g/mol. Its IUPAC name is N-[1-[3-(6,7-difluoro-2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[3-(6,7-difluoro-2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]-2-methylpropanamide
PubChem CID70254769
Molecular FormulaC21H31F2N3O2
Molecular Weight395.49 g/mol
Exact Mass395.24
IUPAC NameN-[1-[3-(6,7-difluoro-2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(CCCN2C(=O)CCC3=CC(F)C(F)C=C32)CC1
InChIInChI=1S/C21H31F2N3O2/c1-14(2)21(28)24-16-6-10-25(11-7-16)8-3-9-26-19-13-18(23)17(22)12-15(19)4-5-20(26)27/h12-14,16-18H,3-11H2,1-2H3,(H,24,28)
InChIKeyFCRZFMGRHVVEKL-UHFFFAOYSA-N
XLogP2.74
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(6,7-difluoro-2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[1-[3-(6,7-difluoro-2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]-2-methylpropanamide (CID 70254769) is N-[1-[3-(6,7-difluoro-2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[3-(6,7-difluoro-2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-[3-(6,7-difluoro-2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]-2-methylpropanamide is CC(C)C(=O)NC1CCN(CCCN2C(=O)CCC3=CC(F)C(F)C=C32)CC1.
What is the InChIKey of N-[1-[3-(6,7-difluoro-2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]-2-methylpropanamide?
The InChIKey is FCRZFMGRHVVEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31F2N3O2/c1-14(2)21(28)24-16-6-10-25(11-7-16)8-3-9-26-19-13-18(23)17(22)12-15(19)4-5-20(26)27/h12-14,16-18H,3-11H2,1-2H3,(H,24,28).
What are the key properties of N-[1-[3-(6,7-difluoro-2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]-2-methylpropanamide?
N-[1-[3-(6,7-difluoro-2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]-2-methylpropanamide has a molecular weight of 395.49 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(6,7-difluoro-2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 70254769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).