4-[1-[1-(6-fluoro-4-methylquinolin-2-yl)piperidin-4-yl]ethyl]morpholine

C21H28FN3O — CID 72871994

IUPAC4-[1-[1-(6-fluoro-4-methylquinolin-2-yl)piperidin-4-yl]ethyl]morpholine
SMILESCc1cc(N2CCC(C(C)N3CCOCC3)CC2)nc2ccc(F)cc12
InChIInChI=1S/C21H28FN3O/c1-15-13-21(23-20-4-3-18(22)14-19(15)20)25-7-5-17(6-8-25)16(2)24-9-11-26-12-10-24/h3-4,13-14,16-17H,5-12H2,1-2H3
InChIKeyZGOMMFMSUKFDLS-UHFFFAOYSA-N
MW357.47 g/mol
LogP3.62
Rot. Bonds3

About 4-[1-[1-(6-fluoro-4-methylquinolin-2-yl)piperidin-4-yl]ethyl]morpholine

4-[1-[1-(6-fluoro-4-methylquinolin-2-yl)piperidin-4-yl]ethyl]morpholine (PubChem CID 72871994) has the molecular formula C21H28FN3O and a molecular weight of 357.47 g/mol. Its IUPAC name is 4-[1-[1-(6-fluoro-4-methylquinolin-2-yl)piperidin-4-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[1-[1-(6-fluoro-4-methylquinolin-2-yl)piperidin-4-yl]ethyl]morpholine
PubChem CID72871994
Molecular FormulaC21H28FN3O
Molecular Weight357.47 g/mol
Exact Mass357.22
IUPAC Name4-[1-[1-(6-fluoro-4-methylquinolin-2-yl)piperidin-4-yl]ethyl]morpholine
SMILESCc1cc(N2CCC(C(C)N3CCOCC3)CC2)nc2ccc(F)cc12
InChIInChI=1S/C21H28FN3O/c1-15-13-21(23-20-4-3-18(22)14-19(15)20)25-7-5-17(6-8-25)16(2)24-9-11-26-12-10-24/h3-4,13-14,16-17H,5-12H2,1-2H3
InChIKeyZGOMMFMSUKFDLS-UHFFFAOYSA-N
XLogP3.62
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]quinoline-4-carboxylic acid
CID 97200460
6-fluoro-4-methyl-2-pyrrolidin-1-ylquinoline
CID 46891905
4-(6-chloro-4-methylquinolin-2-yl)morpholine
CID 1477208
2-N,2-N-dimethyl-6-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]pyrimidine-2,4-diamine
CID 72876686
6-fluoro-4-methyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid
CID 46891902
N-methyl-N-[1-(4-methylquinolin-2-yl)piperidin-4-yl]morpholine-4-carboxamide
CID 172892839
4-[(1R)-1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]ethyl]morpholine
CID 97199716
N,N,5-trimethyl-2-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]pyrimidin-4-amine
CID 97203243
(1S,5R)-7-(6-fluoro-4-methylquinolin-2-yl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane
CID 135114226
N-[4-methyl-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinolin-6-yl]acetamide
CID 50825427
2-ethyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanamide
CID 46364051
1-(3-fluoro-4-methylphenyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)urea
CID 46288477

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(6-fluoro-4-methylquinolin-2-yl)piperidin-4-yl]ethyl]morpholine?
The IUPAC name of 4-[1-[1-(6-fluoro-4-methylquinolin-2-yl)piperidin-4-yl]ethyl]morpholine (CID 72871994) is 4-[1-[1-(6-fluoro-4-methylquinolin-2-yl)piperidin-4-yl]ethyl]morpholine.
What is the SMILES notation for 4-[1-[1-(6-fluoro-4-methylquinolin-2-yl)piperidin-4-yl]ethyl]morpholine?
The canonical SMILES for 4-[1-[1-(6-fluoro-4-methylquinolin-2-yl)piperidin-4-yl]ethyl]morpholine is Cc1cc(N2CCC(C(C)N3CCOCC3)CC2)nc2ccc(F)cc12.
What is the InChIKey of 4-[1-[1-(6-fluoro-4-methylquinolin-2-yl)piperidin-4-yl]ethyl]morpholine?
The InChIKey is ZGOMMFMSUKFDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O/c1-15-13-21(23-20-4-3-18(22)14-19(15)20)25-7-5-17(6-8-25)16(2)24-9-11-26-12-10-24/h3-4,13-14,16-17H,5-12H2,1-2H3.
What are the key properties of 4-[1-[1-(6-fluoro-4-methylquinolin-2-yl)piperidin-4-yl]ethyl]morpholine?
4-[1-[1-(6-fluoro-4-methylquinolin-2-yl)piperidin-4-yl]ethyl]morpholine has a molecular weight of 357.47 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(6-fluoro-4-methylquinolin-2-yl)piperidin-4-yl]ethyl]morpholine is sourced from PubChem (CID 72871994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).