1-[4-[(4-chloro-8-fluoroquinolin-7-yl)amino]piperidin-1-yl]-3-methoxypropan-1-one

C18H21ClFN3O2 — CID 133377505

IUPAC1-[4-[(4-chloro-8-fluoroquinolin-7-yl)amino]piperidin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCC(Nc2ccc3c(Cl)ccnc3c2F)CC1
InChIInChI=1S/C18H21ClFN3O2/c1-25-11-7-16(24)23-9-5-12(6-10-23)22-15-3-2-13-14(19)4-8-21-18(13)17(15)20/h2-4,8,12,22H,5-7,9-11H2,1H3
InChIKeyPLPSFOOSWYDEFN-UHFFFAOYSA-N
MW365.84 g/mol
LogP3.47
Rot. Bonds5

About 1-[4-[(4-chloro-8-fluoroquinolin-7-yl)amino]piperidin-1-yl]-3-methoxypropan-1-one

1-[4-[(4-chloro-8-fluoroquinolin-7-yl)amino]piperidin-1-yl]-3-methoxypropan-1-one (PubChem CID 133377505) has the molecular formula C18H21ClFN3O2 and a molecular weight of 365.84 g/mol. Its IUPAC name is 1-[4-[(4-chloro-8-fluoroquinolin-7-yl)amino]piperidin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[4-[(4-chloro-8-fluoroquinolin-7-yl)amino]piperidin-1-yl]-3-methoxypropan-1-one
PubChem CID133377505
Molecular FormulaC18H21ClFN3O2
Molecular Weight365.84 g/mol
Exact Mass365.13
IUPAC Name1-[4-[(4-chloro-8-fluoroquinolin-7-yl)amino]piperidin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCC(Nc2ccc3c(Cl)ccnc3c2F)CC1
InChIInChI=1S/C18H21ClFN3O2/c1-25-11-7-16(24)23-9-5-12(6-10-23)22-15-3-2-13-14(19)4-8-21-18(13)17(15)20/h2-4,8,12,22H,5-7,9-11H2,1H3
InChIKeyPLPSFOOSWYDEFN-UHFFFAOYSA-N
XLogP3.47
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(4-chloro-8-fluoroquinolin-7-yl)amino]piperidin-1-yl]-3-methoxypropan-1-one with MolForge

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Related Compounds

[2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-methylcyclopentyl]methanol
CID 133328011
4-bromo-5-[[1-(3-methoxypropanoyl)piperidin-4-yl]amino]-2-methylpyridazin-3-one
CID 133377476
3-methoxy-1-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-1-one
CID 133377450
4-fluoro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide
CID 136516441
2-(4-chlorophenoxy)-N-[1-(3-methoxypropanoyl)piperidin-4-yl]propanamide
CID 108553182
1-[4-[[3-(4-fluorophenyl)cyclobutyl]amino]piperidin-1-yl]-3-methoxypropan-1-one
CID 75502753
1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 108533555
2-chloro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]propanamide
CID 108566430
4-(2-chlorophenoxy)-1-[4-(3-methoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536281
3-methoxy-1-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]propan-1-one
CID 133377499
3-methoxy-1-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]propan-1-one
CID 133376904
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(3-methoxypropanoyl)piperidin-4-yl]acetamide
CID 108552764

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chloro-8-fluoroquinolin-7-yl)amino]piperidin-1-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[4-[(4-chloro-8-fluoroquinolin-7-yl)amino]piperidin-1-yl]-3-methoxypropan-1-one (CID 133377505) is 1-[4-[(4-chloro-8-fluoroquinolin-7-yl)amino]piperidin-1-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[4-[(4-chloro-8-fluoroquinolin-7-yl)amino]piperidin-1-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[4-[(4-chloro-8-fluoroquinolin-7-yl)amino]piperidin-1-yl]-3-methoxypropan-1-one is COCCC(=O)N1CCC(Nc2ccc3c(Cl)ccnc3c2F)CC1.
What is the InChIKey of 1-[4-[(4-chloro-8-fluoroquinolin-7-yl)amino]piperidin-1-yl]-3-methoxypropan-1-one?
The InChIKey is PLPSFOOSWYDEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN3O2/c1-25-11-7-16(24)23-9-5-12(6-10-23)22-15-3-2-13-14(19)4-8-21-18(13)17(15)20/h2-4,8,12,22H,5-7,9-11H2,1H3.
What are the key properties of 1-[4-[(4-chloro-8-fluoroquinolin-7-yl)amino]piperidin-1-yl]-3-methoxypropan-1-one?
1-[4-[(4-chloro-8-fluoroquinolin-7-yl)amino]piperidin-1-yl]-3-methoxypropan-1-one has a molecular weight of 365.84 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chloro-8-fluoroquinolin-7-yl)amino]piperidin-1-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 133377505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).