N'-(8-fluoroquinolin-3-yl)-N-[2-(1-hydroxycyclopentyl)-2-methylpropyl]oxamide

C20H24FN3O3 — CID 139020440

IUPACN'-(8-fluoroquinolin-3-yl)-N-[2-(1-hydroxycyclopentyl)-2-methylpropyl]oxamide
SMILESCC(C)(CNC(=O)C(=O)Nc1cnc2c(F)cccc2c1)C1(O)CCCC1
InChIInChI=1S/C20H24FN3O3/c1-19(2,20(27)8-3-4-9-20)12-23-17(25)18(26)24-14-10-13-6-5-7-15(21)16(13)22-11-14/h5-7,10-11,27H,3-4,8-9,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyDGGNRFGMFOFOSN-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.76
Rot. Bonds4

About N'-(8-fluoroquinolin-3-yl)-N-[2-(1-hydroxycyclopentyl)-2-methylpropyl]oxamide

N'-(8-fluoroquinolin-3-yl)-N-[2-(1-hydroxycyclopentyl)-2-methylpropyl]oxamide (PubChem CID 139020440) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is N'-(8-fluoroquinolin-3-yl)-N-[2-(1-hydroxycyclopentyl)-2-methylpropyl]oxamide.

Molecular Properties

Compound NameN'-(8-fluoroquinolin-3-yl)-N-[2-(1-hydroxycyclopentyl)-2-methylpropyl]oxamide
PubChem CID139020440
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC NameN'-(8-fluoroquinolin-3-yl)-N-[2-(1-hydroxycyclopentyl)-2-methylpropyl]oxamide
SMILESCC(C)(CNC(=O)C(=O)Nc1cnc2c(F)cccc2c1)C1(O)CCCC1
InChIInChI=1S/C20H24FN3O3/c1-19(2,20(27)8-3-4-9-20)12-23-17(25)18(26)24-14-10-13-6-5-7-15(21)16(13)22-11-14/h5-7,10-11,27H,3-4,8-9,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyDGGNRFGMFOFOSN-UHFFFAOYSA-N
XLogP2.76
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(8-fluoroquinolin-3-yl)-1-(methoxymethyl)cyclopentane-1-carboxamide
CID 167842246
2-benzyl-3-(1-fluorocyclopropyl)-N-(8-fluoroquinolin-3-yl)-2-methylpropanamide
CID 147294248
N-(8-fluoroquinolin-3-yl)-4-methylpiperazine-1-carboxamide
CID 155961191
2-benzyl-N-(8-fluoroquinolin-3-yl)-2,4,4-trimethylpentanamide
CID 166964989
2-(cyclobutyloxymethyl)-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide
CID 138478424
(2S)-2-benzyl-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide
CID 142432657
1-(8-fluoroquinolin-3-yl)ethanone
CID 75355413
N-[1-[(8-fluoroquinolin-3-yl)amino]-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 139020749
8-fluoroquinoline-3-carboxylic acid;hydrate
CID 90668422
8-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide
CID 110489691
8-fluoro-N-pyridin-4-ylquinoline-3-carboxamide
CID 110489666
8-fluoro-N-(2-methylheptan-2-yl)quinoline-3-carboxamide
CID 155104955

Frequently Asked Questions

What is the IUPAC name of N'-(8-fluoroquinolin-3-yl)-N-[2-(1-hydroxycyclopentyl)-2-methylpropyl]oxamide?
The IUPAC name of N'-(8-fluoroquinolin-3-yl)-N-[2-(1-hydroxycyclopentyl)-2-methylpropyl]oxamide (CID 139020440) is N'-(8-fluoroquinolin-3-yl)-N-[2-(1-hydroxycyclopentyl)-2-methylpropyl]oxamide.
What is the SMILES notation for N'-(8-fluoroquinolin-3-yl)-N-[2-(1-hydroxycyclopentyl)-2-methylpropyl]oxamide?
The canonical SMILES for N'-(8-fluoroquinolin-3-yl)-N-[2-(1-hydroxycyclopentyl)-2-methylpropyl]oxamide is CC(C)(CNC(=O)C(=O)Nc1cnc2c(F)cccc2c1)C1(O)CCCC1.
What is the InChIKey of N'-(8-fluoroquinolin-3-yl)-N-[2-(1-hydroxycyclopentyl)-2-methylpropyl]oxamide?
The InChIKey is DGGNRFGMFOFOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-19(2,20(27)8-3-4-9-20)12-23-17(25)18(26)24-14-10-13-6-5-7-15(21)16(13)22-11-14/h5-7,10-11,27H,3-4,8-9,12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N'-(8-fluoroquinolin-3-yl)-N-[2-(1-hydroxycyclopentyl)-2-methylpropyl]oxamide?
N'-(8-fluoroquinolin-3-yl)-N-[2-(1-hydroxycyclopentyl)-2-methylpropyl]oxamide has a molecular weight of 373.43 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(8-fluoroquinolin-3-yl)-N-[2-(1-hydroxycyclopentyl)-2-methylpropyl]oxamide is sourced from PubChem (CID 139020440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).