N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,8-dimethylquinoline-3-carboxamide

C19H24N2O4 — CID 91781227

IUPACN-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,8-dimethylquinoline-3-carboxamide
SMILESCc1nc2c(C)cccc2cc1C(=O)N[C@@H]1CCOC[C@H]1OCCO
InChIInChI=1S/C19H24N2O4/c1-12-4-3-5-14-10-15(13(2)20-18(12)14)19(23)21-16-6-8-24-11-17(16)25-9-7-22/h3-5,10,16-17,22H,6-9,11H2,1-2H3,(H,21,23)/t16-,17-/m1/s1
InChIKeyPNWZYIRGHLKFRM-IAGOWNOFSA-N
MW344.41 g/mol
LogP1.75
Rot. Bonds5

About N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,8-dimethylquinoline-3-carboxamide

N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,8-dimethylquinoline-3-carboxamide (PubChem CID 91781227) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,8-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,8-dimethylquinoline-3-carboxamide
PubChem CID91781227
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,8-dimethylquinoline-3-carboxamide
SMILESCc1nc2c(C)cccc2cc1C(=O)N[C@@H]1CCOC[C@H]1OCCO
InChIInChI=1S/C19H24N2O4/c1-12-4-3-5-14-10-15(13(2)20-18(12)14)19(23)21-16-6-8-24-11-17(16)25-9-7-22/h3-5,10,16-17,22H,6-9,11H2,1-2H3,(H,21,23)/t16-,17-/m1/s1
InChIKeyPNWZYIRGHLKFRM-IAGOWNOFSA-N
XLogP1.75
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,8-dimethylquinoline-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-3-methylpyridine-2-carboxamide
CID 91760856
N-[3-(2-hydroxyethoxy)oxan-4-yl]-3-(3-hydroxy-3-methylbut-1-ynyl)benzamide
CID 156608304
4-(ethylsulfonylamino)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]benzamide
CID 91772259
N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 91780754
3-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide
CID 91775648
2-[(3S,4R)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]oxan-3-yl]oxyethanol
CID 91778452
2-(2-methylphenyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide
CID 91760467
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-fluoropyridine-4-carboxamide
CID 91761132
2,6-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-3-carboxamide
CID 91765136
3-chloro-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-methylbenzenesulfonamide
CID 91773298
2-[(3S,4R)-4-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]oxan-3-yl]oxyethanol
CID 91766427
N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 91765324

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,8-dimethylquinoline-3-carboxamide?
The IUPAC name of N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,8-dimethylquinoline-3-carboxamide (CID 91781227) is N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,8-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,8-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,8-dimethylquinoline-3-carboxamide is Cc1nc2c(C)cccc2cc1C(=O)N[C@@H]1CCOC[C@H]1OCCO.
What is the InChIKey of N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,8-dimethylquinoline-3-carboxamide?
The InChIKey is PNWZYIRGHLKFRM-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-12-4-3-5-14-10-15(13(2)20-18(12)14)19(23)21-16-6-8-24-11-17(16)25-9-7-22/h3-5,10,16-17,22H,6-9,11H2,1-2H3,(H,21,23)/t16-,17-/m1/s1.
What are the key properties of N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,8-dimethylquinoline-3-carboxamide?
N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,8-dimethylquinoline-3-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,8-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 91781227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).