N-[3-(2-aminoethyl)cyclopentyl]-5-fluoroquinoline-6-carboxamide

C17H20FN3O — CID 166288867

IUPACN-[3-(2-aminoethyl)cyclopentyl]-5-fluoroquinoline-6-carboxamide
SMILESNCCC1CCC(NC(=O)c2ccc3ncccc3c2F)C1
InChIInChI=1S/C17H20FN3O/c18-16-13-2-1-9-20-15(13)6-5-14(16)17(22)21-12-4-3-11(10-12)7-8-19/h1-2,5-6,9,11-12H,3-4,7-8,10,19H2,(H,21,22)
InChIKeyXFHPIRZYCKDDSH-UHFFFAOYSA-N
MW301.36 g/mol
LogP2.62
Rot. Bonds4

About N-[3-(2-aminoethyl)cyclopentyl]-5-fluoroquinoline-6-carboxamide

N-[3-(2-aminoethyl)cyclopentyl]-5-fluoroquinoline-6-carboxamide (PubChem CID 166288867) has the molecular formula C17H20FN3O and a molecular weight of 301.36 g/mol. Its IUPAC name is N-[3-(2-aminoethyl)cyclopentyl]-5-fluoroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[3-(2-aminoethyl)cyclopentyl]-5-fluoroquinoline-6-carboxamide
PubChem CID166288867
Molecular FormulaC17H20FN3O
Molecular Weight301.36 g/mol
Exact Mass301.16
IUPAC NameN-[3-(2-aminoethyl)cyclopentyl]-5-fluoroquinoline-6-carboxamide
SMILESNCCC1CCC(NC(=O)c2ccc3ncccc3c2F)C1
InChIInChI=1S/C17H20FN3O/c18-16-13-2-1-9-20-15(13)6-5-14(16)17(22)21-12-4-3-11(10-12)7-8-19/h1-2,5-6,9,11-12H,3-4,7-8,10,19H2,(H,21,22)
InChIKeyXFHPIRZYCKDDSH-UHFFFAOYSA-N
XLogP2.62
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylcyclohexyl)quinoline-5-carboxamide
CID 145451400
methyl 5-fluoroquinoline-6-carboxylate
CID 118665149
N-(4-ethylcyclohexyl)-2-fluoropyridine-3-carboxamide
CID 114037667
[3-(2-aminoethyl)pyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 114802065
N-[3-(bromomethyl)cyclohexyl]-2,3-difluorobenzamide
CID 112752885
N-[3-(2-aminoethyl)cyclopentyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 166276884
N-cyclopropyl-2,3-difluorobenzamide
CID 62648987
N-(3,4-dimethylcyclohexyl)-2,3-difluoropyridine-4-carboxamide
CID 105381302
N-cyclopropyl-2-methylsulfanylpyridine-3-carboxamide
CID 26736800
N-cyclopentyl-3-fluoropyridine-2-carboxamide
CID 83407062
N-[4-[2-[(3aR,7aR)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide
CID 138670641
N-(4-ethynylcyclohexyl)quinoline-4-carboxamide
CID 174665969

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethyl)cyclopentyl]-5-fluoroquinoline-6-carboxamide?
The IUPAC name of N-[3-(2-aminoethyl)cyclopentyl]-5-fluoroquinoline-6-carboxamide (CID 166288867) is N-[3-(2-aminoethyl)cyclopentyl]-5-fluoroquinoline-6-carboxamide.
What is the SMILES notation for N-[3-(2-aminoethyl)cyclopentyl]-5-fluoroquinoline-6-carboxamide?
The canonical SMILES for N-[3-(2-aminoethyl)cyclopentyl]-5-fluoroquinoline-6-carboxamide is NCCC1CCC(NC(=O)c2ccc3ncccc3c2F)C1.
What is the InChIKey of N-[3-(2-aminoethyl)cyclopentyl]-5-fluoroquinoline-6-carboxamide?
The InChIKey is XFHPIRZYCKDDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c18-16-13-2-1-9-20-15(13)6-5-14(16)17(22)21-12-4-3-11(10-12)7-8-19/h1-2,5-6,9,11-12H,3-4,7-8,10,19H2,(H,21,22).
What are the key properties of N-[3-(2-aminoethyl)cyclopentyl]-5-fluoroquinoline-6-carboxamide?
N-[3-(2-aminoethyl)cyclopentyl]-5-fluoroquinoline-6-carboxamide has a molecular weight of 301.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethyl)cyclopentyl]-5-fluoroquinoline-6-carboxamide is sourced from PubChem (CID 166288867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).