[6-fluoro-4-[1-(4-methoxyphenyl)ethylamino]quinolin-3-yl]-piperidin-1-ylmethanone

C24H26FN3O2 — CID 53334001

IUPAC[6-fluoro-4-[1-(4-methoxyphenyl)ethylamino]quinolin-3-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(C(C)Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)cc1
InChIInChI=1S/C24H26FN3O2/c1-16(17-6-9-19(30-2)10-7-17)27-23-20-14-18(25)8-11-22(20)26-15-21(23)24(29)28-12-4-3-5-13-28/h6-11,14-16H,3-5,12-13H2,1-2H3,(H,26,27)
InChIKeyYCESZDZLUFFJIQ-UHFFFAOYSA-N
MW407.49 g/mol
LogP5.18
Rot. Bonds5

About [6-fluoro-4-[1-(4-methoxyphenyl)ethylamino]quinolin-3-yl]-piperidin-1-ylmethanone

[6-fluoro-4-[1-(4-methoxyphenyl)ethylamino]quinolin-3-yl]-piperidin-1-ylmethanone (PubChem CID 53334001) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is [6-fluoro-4-[1-(4-methoxyphenyl)ethylamino]quinolin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-fluoro-4-[1-(4-methoxyphenyl)ethylamino]quinolin-3-yl]-piperidin-1-ylmethanone
PubChem CID53334001
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name[6-fluoro-4-[1-(4-methoxyphenyl)ethylamino]quinolin-3-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(C(C)Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)cc1
InChIInChI=1S/C24H26FN3O2/c1-16(17-6-9-19(30-2)10-7-17)27-23-20-14-18(25)8-11-22(20)26-15-21(23)24(29)28-12-4-3-5-13-28/h6-11,14-16H,3-5,12-13H2,1-2H3,(H,26,27)
InChIKeyYCESZDZLUFFJIQ-UHFFFAOYSA-N
XLogP5.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.49
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-fluoro-4-(3-methoxyanilino)quinolin-3-yl]-piperidin-1-ylmethanone
CID 53001502
[6-chloro-4-[[(1S)-1-phenylethyl]amino]quinolin-3-yl]-piperidin-1-ylmethanone
CID 95795098
[6-fluoro-4-[(4-methylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone
CID 53333974
[4-[(3-ethoxy-4-methoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53333929
[4-[(2-ethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53333897
[4-(2,4-dichloroanilino)-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53032705
azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone
CID 4732287
[4-[(3-chloro-4-fluorophenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53333912
[4-(1,3-benzodioxol-5-ylmethylamino)-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone
CID 53333981
[4-(3,4-dimethylphenyl)sulfonyl-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone
CID 50757611
(4-chloro-6-fluoroquinolin-3-yl)-morpholin-4-ylmethanone
CID 83290736
4-(4-fluoroanilino)-6-methoxyquinoline-3-carboxylic acid
CID 7137766

Frequently Asked Questions

What is the IUPAC name of [6-fluoro-4-[1-(4-methoxyphenyl)ethylamino]quinolin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-fluoro-4-[1-(4-methoxyphenyl)ethylamino]quinolin-3-yl]-piperidin-1-ylmethanone (CID 53334001) is [6-fluoro-4-[1-(4-methoxyphenyl)ethylamino]quinolin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-fluoro-4-[1-(4-methoxyphenyl)ethylamino]quinolin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-fluoro-4-[1-(4-methoxyphenyl)ethylamino]quinolin-3-yl]-piperidin-1-ylmethanone is COc1ccc(C(C)Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)cc1.
What is the InChIKey of [6-fluoro-4-[1-(4-methoxyphenyl)ethylamino]quinolin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is YCESZDZLUFFJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2/c1-16(17-6-9-19(30-2)10-7-17)27-23-20-14-18(25)8-11-22(20)26-15-21(23)24(29)28-12-4-3-5-13-28/h6-11,14-16H,3-5,12-13H2,1-2H3,(H,26,27).
What are the key properties of [6-fluoro-4-[1-(4-methoxyphenyl)ethylamino]quinolin-3-yl]-piperidin-1-ylmethanone?
[6-fluoro-4-[1-(4-methoxyphenyl)ethylamino]quinolin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 407.49 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-4-[1-(4-methoxyphenyl)ethylamino]quinolin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 53334001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).