(2S,5R)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-5-ethyloxolane-2-carboxamide

C19H25N3O2 — CID 96539251

IUPAC(2S,5R)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-5-ethyloxolane-2-carboxamide
SMILESCC[C@@H]1CC[C@@H](C(=O)NCc2cc(N(C)C)nc3ccccc23)O1
InChIInChI=1S/C19H25N3O2/c1-4-14-9-10-17(24-14)19(23)20-12-13-11-18(22(2)3)21-16-8-6-5-7-15(13)16/h5-8,11,14,17H,4,9-10,12H2,1-3H3,(H,20,23)/t14-,17+/m1/s1
InChIKeyCGIOUMPAJYIMES-PBHICJAKSA-N
MW327.43 g/mol
LogP2.87
Rot. Bonds5

About (2S,5R)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-5-ethyloxolane-2-carboxamide

(2S,5R)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-5-ethyloxolane-2-carboxamide (PubChem CID 96539251) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (2S,5R)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-5-ethyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-5-ethyloxolane-2-carboxamide
PubChem CID96539251
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(2S,5R)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-5-ethyloxolane-2-carboxamide
SMILESCC[C@@H]1CC[C@@H](C(=O)NCc2cc(N(C)C)nc3ccccc23)O1
InChIInChI=1S/C19H25N3O2/c1-4-14-9-10-17(24-14)19(23)20-12-13-11-18(22(2)3)21-16-8-6-5-7-15(13)16/h5-8,11,14,17H,4,9-10,12H2,1-3H3,(H,20,23)/t14-,17+/m1/s1
InChIKeyCGIOUMPAJYIMES-PBHICJAKSA-N
XLogP2.87
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,5R)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-5-ethyloxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-5-ethyloxolane-2-carboxamide?
The IUPAC name of (2S,5R)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-5-ethyloxolane-2-carboxamide (CID 96539251) is (2S,5R)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-5-ethyloxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-5-ethyloxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-5-ethyloxolane-2-carboxamide is CC[C@@H]1CC[C@@H](C(=O)NCc2cc(N(C)C)nc3ccccc23)O1.
What is the InChIKey of (2S,5R)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-5-ethyloxolane-2-carboxamide?
The InChIKey is CGIOUMPAJYIMES-PBHICJAKSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-4-14-9-10-17(24-14)19(23)20-12-13-11-18(22(2)3)21-16-8-6-5-7-15(13)16/h5-8,11,14,17H,4,9-10,12H2,1-3H3,(H,20,23)/t14-,17+/m1/s1.
What are the key properties of (2S,5R)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-5-ethyloxolane-2-carboxamide?
(2S,5R)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-5-ethyloxolane-2-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-5-ethyloxolane-2-carboxamide is sourced from PubChem (CID 96539251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).