1-(6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone

C19H28FN3O — CID 91670616

IUPAC1-(6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCC1CC(C)(C)N(C(=O)CN2CCN(C)CC2)c2ccc(F)cc21
InChIInChI=1S/C19H28FN3O/c1-14-12-19(2,3)23(17-6-5-15(20)11-16(14)17)18(24)13-22-9-7-21(4)8-10-22/h5-6,11,14H,7-10,12-13H2,1-4H3
InChIKeyMOZJOLXCYXDQSY-UHFFFAOYSA-N
MW333.45 g/mol
LogP2.69
Rot. Bonds2

About 1-(6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone

1-(6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone (PubChem CID 91670616) has the molecular formula C19H28FN3O and a molecular weight of 333.45 g/mol. Its IUPAC name is 1-(6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
PubChem CID91670616
Molecular FormulaC19H28FN3O
Molecular Weight333.45 g/mol
Exact Mass333.22
IUPAC Name1-(6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCC1CC(C)(C)N(C(=O)CN2CCN(C)CC2)c2ccc(F)cc21
InChIInChI=1S/C19H28FN3O/c1-14-12-19(2,3)23(17-6-5-15(20)11-16(14)17)18(24)13-22-9-7-21(4)8-10-22/h5-6,11,14H,7-10,12-13H2,1-4H3
InChIKeyMOZJOLXCYXDQSY-UHFFFAOYSA-N
XLogP2.69
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone (CID 91670616) is 1-(6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone is CC1CC(C)(C)N(C(=O)CN2CCN(C)CC2)c2ccc(F)cc21.
What is the InChIKey of 1-(6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is MOZJOLXCYXDQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O/c1-14-12-19(2,3)23(17-6-5-15(20)11-16(14)17)18(24)13-22-9-7-21(4)8-10-22/h5-6,11,14H,7-10,12-13H2,1-4H3.
What are the key properties of 1-(6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone?
1-(6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 333.45 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 91670616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).