7-fluoro-2-methyl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]quinoline-4-carboxamide

C21H26FN3O2 — CID 96575727

IUPAC7-fluoro-2-methyl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c2ccc(F)cc2n1
InChIInChI=1S/C21H26FN3O2/c1-14-11-19(18-5-4-15(22)12-20(18)23-14)21(26)24-16-6-8-25(9-7-16)13-17-3-2-10-27-17/h4-5,11-12,16-17H,2-3,6-10,13H2,1H3,(H,24,26)/t17-/m0/s1
InChIKeyMXFIZPYYLFXMIT-KRWDZBQOSA-N
MW371.46 g/mol
LogP3.06
Rot. Bonds4

About 7-fluoro-2-methyl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]quinoline-4-carboxamide

7-fluoro-2-methyl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]quinoline-4-carboxamide (PubChem CID 96575727) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 7-fluoro-2-methyl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-2-methyl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]quinoline-4-carboxamide
PubChem CID96575727
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name7-fluoro-2-methyl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c2ccc(F)cc2n1
InChIInChI=1S/C21H26FN3O2/c1-14-11-19(18-5-4-15(22)12-20(18)23-14)21(26)24-16-6-8-25(9-7-16)13-17-3-2-10-27-17/h4-5,11-12,16-17H,2-3,6-10,13H2,1H3,(H,24,26)/t17-/m0/s1
InChIKeyMXFIZPYYLFXMIT-KRWDZBQOSA-N
XLogP3.06
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-2-methyl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]quinoline-4-carboxamide (CID 96575727) is 7-fluoro-2-methyl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-2-methyl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-2-methyl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]quinoline-4-carboxamide is Cc1cc(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c2ccc(F)cc2n1.
What is the InChIKey of 7-fluoro-2-methyl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]quinoline-4-carboxamide?
The InChIKey is MXFIZPYYLFXMIT-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-14-11-19(18-5-4-15(22)12-20(18)23-14)21(26)24-16-6-8-25(9-7-16)13-17-3-2-10-27-17/h4-5,11-12,16-17H,2-3,6-10,13H2,1H3,(H,24,26)/t17-/m0/s1.
What are the key properties of 7-fluoro-2-methyl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]quinoline-4-carboxamide?
7-fluoro-2-methyl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]quinoline-4-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]quinoline-4-carboxamide is sourced from PubChem (CID 96575727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).