(2S,3S)-2-methyl-N-quinolin-4-yloxolane-3-carboxamide

C15H16N2O2 — CID 166298277

IUPAC(2S,3S)-2-methyl-N-quinolin-4-yloxolane-3-carboxamide
SMILESC[C@@H]1OCC[C@@H]1C(=O)Nc1ccnc2ccccc12
InChIInChI=1S/C15H16N2O2/c1-10-11(7-9-19-10)15(18)17-14-6-8-16-13-5-3-2-4-12(13)14/h2-6,8,10-11H,7,9H2,1H3,(H,16,17,18)/t10-,11-/m0/s1
InChIKeyHTCDOHYERNXKRU-QWRGUYRKSA-N
MW256.31 g/mol
LogP2.60
Rot. Bonds2

About (2S,3S)-2-methyl-N-quinolin-4-yloxolane-3-carboxamide

(2S,3S)-2-methyl-N-quinolin-4-yloxolane-3-carboxamide (PubChem CID 166298277) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is (2S,3S)-2-methyl-N-quinolin-4-yloxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-methyl-N-quinolin-4-yloxolane-3-carboxamide
PubChem CID166298277
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name(2S,3S)-2-methyl-N-quinolin-4-yloxolane-3-carboxamide
SMILESC[C@@H]1OCC[C@@H]1C(=O)Nc1ccnc2ccccc12
InChIInChI=1S/C15H16N2O2/c1-10-11(7-9-19-10)15(18)17-14-6-8-16-13-5-3-2-4-12(13)14/h2-6,8,10-11H,7,9H2,1H3,(H,16,17,18)/t10-,11-/m0/s1
InChIKeyHTCDOHYERNXKRU-QWRGUYRKSA-N
XLogP2.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methyl-N-quinolin-4-yloxolane-3-carboxamide?
The IUPAC name of (2S,3S)-2-methyl-N-quinolin-4-yloxolane-3-carboxamide (CID 166298277) is (2S,3S)-2-methyl-N-quinolin-4-yloxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-methyl-N-quinolin-4-yloxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-methyl-N-quinolin-4-yloxolane-3-carboxamide is C[C@@H]1OCC[C@@H]1C(=O)Nc1ccnc2ccccc12.
What is the InChIKey of (2S,3S)-2-methyl-N-quinolin-4-yloxolane-3-carboxamide?
The InChIKey is HTCDOHYERNXKRU-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-11(7-9-19-10)15(18)17-14-6-8-16-13-5-3-2-4-12(13)14/h2-6,8,10-11H,7,9H2,1H3,(H,16,17,18)/t10-,11-/m0/s1.
What are the key properties of (2S,3S)-2-methyl-N-quinolin-4-yloxolane-3-carboxamide?
(2S,3S)-2-methyl-N-quinolin-4-yloxolane-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methyl-N-quinolin-4-yloxolane-3-carboxamide is sourced from PubChem (CID 166298277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).