3-[(7-fluoroquinolin-4-yl)amino]-1-piperidin-1-ylpropan-1-one

C17H20FN3O — CID 154834944

IUPAC3-[(7-fluoroquinolin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCNc1ccnc2cc(F)ccc12)N1CCCCC1
InChIInChI=1S/C17H20FN3O/c18-13-4-5-14-15(6-8-20-16(14)12-13)19-9-7-17(22)21-10-2-1-3-11-21/h4-6,8,12H,1-3,7,9-11H2,(H,19,20)
InChIKeyHYIKUULYRKVFTG-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.19
Rot. Bonds4

About 3-[(7-fluoroquinolin-4-yl)amino]-1-piperidin-1-ylpropan-1-one

3-[(7-fluoroquinolin-4-yl)amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 154834944) has the molecular formula C17H20FN3O and a molecular weight of 301.36 g/mol. Its IUPAC name is 3-[(7-fluoroquinolin-4-yl)amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(7-fluoroquinolin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
PubChem CID154834944
Molecular FormulaC17H20FN3O
Molecular Weight301.36 g/mol
Exact Mass301.16
IUPAC Name3-[(7-fluoroquinolin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCNc1ccnc2cc(F)ccc12)N1CCCCC1
InChIInChI=1S/C17H20FN3O/c18-13-4-5-14-15(6-8-20-16(14)12-13)19-9-7-17(22)21-10-2-1-3-11-21/h4-6,8,12H,1-3,7,9-11H2,(H,19,20)
InChIKeyHYIKUULYRKVFTG-UHFFFAOYSA-N
XLogP3.19
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-[(7-fluoroquinolin-4-yl)amino]acetic acid
CID 83837512
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 103295107
3-[(3-bromo-4-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one
CID 104777246
4-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 47250876
3-(3,4-dichloroanilino)-1-piperidin-1-ylpropan-1-one
CID 109013913
3-(2,5-dimethylanilino)-1-piperidin-1-ylpropan-1-one
CID 109013832
N'-(3,5-dimethoxyphenyl)-N-(7-fluoroquinolin-4-yl)ethane-1,2-diamine
CID 154864206
4-[(7-fluoroquinolin-4-yl)amino]benzoic acid
CID 54773030
3-(2,3-dimethylanilino)-1-piperidin-1-ylpropan-1-one
CID 109013836
3-[(5-acetyl-2-pyridinyl)amino]-1-(azepan-1-yl)propan-1-one
CID 136519955
5-fluoro-2-hydroxy-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 115681921
3-[(2-cyclopropylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 133297412

Frequently Asked Questions

What is the IUPAC name of 3-[(7-fluoroquinolin-4-yl)amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[(7-fluoroquinolin-4-yl)amino]-1-piperidin-1-ylpropan-1-one (CID 154834944) is 3-[(7-fluoroquinolin-4-yl)amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(7-fluoroquinolin-4-yl)amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(7-fluoroquinolin-4-yl)amino]-1-piperidin-1-ylpropan-1-one is O=C(CCNc1ccnc2cc(F)ccc12)N1CCCCC1.
What is the InChIKey of 3-[(7-fluoroquinolin-4-yl)amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is HYIKUULYRKVFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c18-13-4-5-14-15(6-8-20-16(14)12-13)19-9-7-17(22)21-10-2-1-3-11-21/h4-6,8,12H,1-3,7,9-11H2,(H,19,20).
What are the key properties of 3-[(7-fluoroquinolin-4-yl)amino]-1-piperidin-1-ylpropan-1-one?
3-[(7-fluoroquinolin-4-yl)amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 301.36 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-fluoroquinolin-4-yl)amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 154834944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).