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

C20H29F2N3O2 — CID 70253464

IUPACN-[1-[3-(6,7-difluoro-2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(CCCN2C(=O)CCC3=CC(F)C(F)C=C32)CC1
InChIInChI=1S/C20H29F2N3O2/c1-2-19(26)23-15-6-10-24(11-7-15)8-3-9-25-18-13-17(22)16(21)12-14(18)4-5-20(25)27/h12-13,15-17H,2-11H2,1H3,(H,23,26)
InChIKeyXONDRTADVRCIEC-UHFFFAOYSA-N
MW381.47 g/mol
LogP2.49
Rot. Bonds6

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

N-[1-[3-(6,7-difluoro-2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]propanamide (PubChem CID 70253464) has the molecular formula C20H29F2N3O2 and a molecular weight of 381.47 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]propanamide.

Molecular Properties

Compound NameN-[1-[3-(6,7-difluoro-2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]propanamide
PubChem CID70253464
Molecular FormulaC20H29F2N3O2
Molecular Weight381.47 g/mol
Exact Mass381.22
IUPAC NameN-[1-[3-(6,7-difluoro-2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(CCCN2C(=O)CCC3=CC(F)C(F)C=C32)CC1
InChIInChI=1S/C20H29F2N3O2/c1-2-19(26)23-15-6-10-24(11-7-15)8-3-9-25-18-13-17(22)16(21)12-14(18)4-5-20(25)27/h12-13,15-17H,2-11H2,1H3,(H,23,26)
InChIKeyXONDRTADVRCIEC-UHFFFAOYSA-N
XLogP2.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 52.49
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]propanamide?
The IUPAC name of N-[1-[3-(6,7-difluoro-2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]propanamide (CID 70253464) is N-[1-[3-(6,7-difluoro-2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]propanamide.
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]propanamide?
The canonical SMILES for N-[1-[3-(6,7-difluoro-2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]propanamide is CCC(=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]propanamide?
The InChIKey is XONDRTADVRCIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F2N3O2/c1-2-19(26)23-15-6-10-24(11-7-15)8-3-9-25-18-13-17(22)16(21)12-14(18)4-5-20(25)27/h12-13,15-17H,2-11H2,1H3,(H,23,26).
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]propanamide?
N-[1-[3-(6,7-difluoro-2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]propanamide has a molecular weight of 381.47 g/mol, XLogP of 2.49, 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]propanamide is sourced from PubChem (CID 70253464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).