8-fluoro-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]quinoline-2-carboxamide

C18H21FN2O2 — CID 97128255

IUPAC8-fluoro-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]quinoline-2-carboxamide
SMILESCN(CCC[C@H]1CCCO1)C(=O)c1ccc2cccc(F)c2n1
InChIInChI=1S/C18H21FN2O2/c1-21(11-3-6-14-7-4-12-23-14)18(22)16-10-9-13-5-2-8-15(19)17(13)20-16/h2,5,8-10,14H,3-4,6-7,11-12H2,1H3/t14-/m0/s1
InChIKeyHEPYUFFJFUDTEL-AWEZNQCLSA-N
MW316.38 g/mol
LogP3.41
Rot. Bonds5

About 8-fluoro-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]quinoline-2-carboxamide

8-fluoro-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]quinoline-2-carboxamide (PubChem CID 97128255) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 8-fluoro-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name8-fluoro-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]quinoline-2-carboxamide
PubChem CID97128255
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name8-fluoro-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]quinoline-2-carboxamide
SMILESCN(CCC[C@H]1CCCO1)C(=O)c1ccc2cccc(F)c2n1
InChIInChI=1S/C18H21FN2O2/c1-21(11-3-6-14-7-4-12-23-14)18(22)16-10-9-13-5-2-8-15(19)17(13)20-16/h2,5,8-10,14H,3-4,6-7,11-12H2,1H3/t14-/m0/s1
InChIKeyHEPYUFFJFUDTEL-AWEZNQCLSA-N
XLogP3.41
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluoro-4-pyridinyl)-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]benzamide
CID 125159693
3,5-difluoro-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide
CID 91776280
5-(difluoromethyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]-1H-pyrazole-3-carboxamide
CID 121495548
3-(6-cyano-2-pyridinyl)-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]benzamide
CID 126444243
2-methoxy-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]pyrimidine-5-carboxamide
CID 126439627
6-fluoro-N-[2-(oxolan-2-yl)ethyl]pyridine-2-carboxamide
CID 115497544
N-ethyl-8-fluoro-N-(4-hydroxybutyl)quinoline-2-carboxamide
CID 77091999
4-(4-fluorophenyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]butanamide
CID 135108533
N-methyl-4-(3-methyl-4-pyridinyl)-N-[3-(oxolan-2-yl)propyl]benzamide
CID 119067493
2-[3-[methyl-[3-(oxolan-2-yl)propyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 118787231
3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea
CID 118761000
N-methyl-N-[[(2S)-oxan-2-yl]methyl]-1,8-naphthyridine-2-carboxamide
CID 95189773

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]quinoline-2-carboxamide?
The IUPAC name of 8-fluoro-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]quinoline-2-carboxamide (CID 97128255) is 8-fluoro-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]quinoline-2-carboxamide.
What is the SMILES notation for 8-fluoro-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]quinoline-2-carboxamide?
The canonical SMILES for 8-fluoro-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]quinoline-2-carboxamide is CN(CCC[C@H]1CCCO1)C(=O)c1ccc2cccc(F)c2n1.
What is the InChIKey of 8-fluoro-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]quinoline-2-carboxamide?
The InChIKey is HEPYUFFJFUDTEL-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-21(11-3-6-14-7-4-12-23-14)18(22)16-10-9-13-5-2-8-15(19)17(13)20-16/h2,5,8-10,14H,3-4,6-7,11-12H2,1H3/t14-/m0/s1.
What are the key properties of 8-fluoro-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]quinoline-2-carboxamide?
8-fluoro-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]quinoline-2-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]quinoline-2-carboxamide is sourced from PubChem (CID 97128255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).