N-(3-cyclopentyloxypropyl)-8-fluoroquinoline-2-carboxamide

C18H21FN2O2 — CID 77096220

IUPACN-(3-cyclopentyloxypropyl)-8-fluoroquinoline-2-carboxamide
SMILESO=C(NCCCOC1CCCC1)c1ccc2cccc(F)c2n1
InChIInChI=1S/C18H21FN2O2/c19-15-8-3-5-13-9-10-16(21-17(13)15)18(22)20-11-4-12-23-14-6-1-2-7-14/h3,5,8-10,14H,1-2,4,6-7,11-12H2,(H,20,22)
InChIKeyXVJNNVAABVNBQN-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.45
Rot. Bonds6

About N-(3-cyclopentyloxypropyl)-8-fluoroquinoline-2-carboxamide

N-(3-cyclopentyloxypropyl)-8-fluoroquinoline-2-carboxamide (PubChem CID 77096220) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(3-cyclopentyloxypropyl)-8-fluoroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxypropyl)-8-fluoroquinoline-2-carboxamide
PubChem CID77096220
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC NameN-(3-cyclopentyloxypropyl)-8-fluoroquinoline-2-carboxamide
SMILESO=C(NCCCOC1CCCC1)c1ccc2cccc(F)c2n1
InChIInChI=1S/C18H21FN2O2/c19-15-8-3-5-13-9-10-16(21-17(13)15)18(22)20-11-4-12-23-14-6-1-2-7-14/h3,5,8-10,14H,1-2,4,6-7,11-12H2,(H,20,22)
InChIKeyXVJNNVAABVNBQN-UHFFFAOYSA-N
XLogP3.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide
CID 62233137
8-fluoro-N-hexylquinoline-2-carboxamide
CID 110485324
4-[(8-fluoroquinoline-2-carbonyl)amino]butanoic acid
CID 110464541
N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide
CID 80710683
N-(3-cyclohexyloxypropyl)-4-fluorobenzamide
CID 60668652
N-(3-cyclohexyloxypropyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 24516413
(8-fluoroquinolin-2-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone
CID 97149570
N-(2,2-dimethoxyethyl)-8-fluoroquinoline-2-carboxamide
CID 110464548
2-amino-N-(3-cyclohexyloxypropyl)-1,3-thiazole-4-carboxamide
CID 62786886
3,6-dichloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide
CID 38715612
4-amino-N-(3-cyclohexyloxypropyl)-3-fluorobenzamide
CID 63188539
N-(3-cyclopentyloxypropyl)-2,6-dimethylpyridine-4-carboxamide
CID 77084205

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxypropyl)-8-fluoroquinoline-2-carboxamide?
The IUPAC name of N-(3-cyclopentyloxypropyl)-8-fluoroquinoline-2-carboxamide (CID 77096220) is N-(3-cyclopentyloxypropyl)-8-fluoroquinoline-2-carboxamide.
What is the SMILES notation for N-(3-cyclopentyloxypropyl)-8-fluoroquinoline-2-carboxamide?
The canonical SMILES for N-(3-cyclopentyloxypropyl)-8-fluoroquinoline-2-carboxamide is O=C(NCCCOC1CCCC1)c1ccc2cccc(F)c2n1.
What is the InChIKey of N-(3-cyclopentyloxypropyl)-8-fluoroquinoline-2-carboxamide?
The InChIKey is XVJNNVAABVNBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c19-15-8-3-5-13-9-10-16(21-17(13)15)18(22)20-11-4-12-23-14-6-1-2-7-14/h3,5,8-10,14H,1-2,4,6-7,11-12H2,(H,20,22).
What are the key properties of N-(3-cyclopentyloxypropyl)-8-fluoroquinoline-2-carboxamide?
N-(3-cyclopentyloxypropyl)-8-fluoroquinoline-2-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxypropyl)-8-fluoroquinoline-2-carboxamide is sourced from PubChem (CID 77096220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).