N-[1-[3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]propanamide

C20H28FN3O2 — CID 46930342

IUPACN-[1-[3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(CCCN2C(=O)CCc3ccc(F)cc32)CC1
InChIInChI=1S/C20H28FN3O2/c1-2-19(25)22-17-8-12-23(13-9-17)10-3-11-24-18-14-16(21)6-4-15(18)5-7-20(24)26/h4,6,14,17H,2-3,5,7-13H2,1H3,(H,22,25)
InChIKeyWPCKTNFWQWAXOM-UHFFFAOYSA-N
MW361.46 g/mol
LogP2.49
Rot. Bonds6

About N-[1-[3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]propanamide

N-[1-[3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]propanamide (PubChem CID 46930342) has the molecular formula C20H28FN3O2 and a molecular weight of 361.46 g/mol. Its IUPAC name is N-[1-[3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-[3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]propanamide
PubChem CID46930342
Molecular FormulaC20H28FN3O2
Molecular Weight361.46 g/mol
Exact Mass361.22
IUPAC NameN-[1-[3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(CCCN2C(=O)CCc3ccc(F)cc32)CC1
InChIInChI=1S/C20H28FN3O2/c1-2-19(25)22-17-8-12-23(13-9-17)10-3-11-24-18-14-16(21)6-4-15(18)5-7-20(24)26/h4,6,14,17H,2-3,5,7-13H2,1H3,(H,22,25)
InChIKeyWPCKTNFWQWAXOM-UHFFFAOYSA-N
XLogP2.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
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-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]propanamide?
The IUPAC name of N-[1-[3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]propanamide (CID 46930342) is N-[1-[3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[1-[3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[1-[3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]propanamide is CCC(=O)NC1CCN(CCCN2C(=O)CCc3ccc(F)cc32)CC1.
What is the InChIKey of N-[1-[3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]propanamide?
The InChIKey is WPCKTNFWQWAXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O2/c1-2-19(25)22-17-8-12-23(13-9-17)10-3-11-24-18-14-16(21)6-4-15(18)5-7-20(24)26/h4,6,14,17H,2-3,5,7-13H2,1H3,(H,22,25).
What are the key properties of N-[1-[3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]propanamide?
N-[1-[3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]propanamide has a molecular weight of 361.46 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-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 46930342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).