N-[2-[5-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide

C19H26N4O2 — CID 99838294

IUPACN-[2-[5-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc(CCN2c3ccccc3CC[C@H]2C)n1
InChIInChI=1S/C19H26N4O2/c1-13-9-10-15-7-5-6-8-16(15)23(13)12-11-17-20-18(22-25-17)19(3,4)21-14(2)24/h5-8,13H,9-12H2,1-4H3,(H,21,24)/t13-/m1/s1
InChIKeyOTWHKWNKAPZUOM-CYBMUJFWSA-N
MW342.44 g/mol
LogP2.82
Rot. Bonds5

About N-[2-[5-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide

N-[2-[5-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (PubChem CID 99838294) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-[5-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
PubChem CID99838294
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[2-[5-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc(CCN2c3ccccc3CC[C@H]2C)n1
InChIInChI=1S/C19H26N4O2/c1-13-9-10-15-7-5-6-8-16(15)23(13)12-11-17-20-18(22-25-17)19(3,4)21-14(2)24/h5-8,13H,9-12H2,1-4H3,(H,21,24)/t13-/m1/s1
InChIKeyOTWHKWNKAPZUOM-CYBMUJFWSA-N
XLogP2.82
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The IUPAC name of N-[2-[5-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (CID 99838294) is N-[2-[5-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[2-[5-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[2-[5-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is CC(=O)NC(C)(C)c1noc(CCN2c3ccccc3CC[C@H]2C)n1.
What is the InChIKey of N-[2-[5-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The InChIKey is OTWHKWNKAPZUOM-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13-9-10-15-7-5-6-8-16(15)23(13)12-11-17-20-18(22-25-17)19(3,4)21-14(2)24/h5-8,13H,9-12H2,1-4H3,(H,21,24)/t13-/m1/s1.
What are the key properties of N-[2-[5-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
N-[2-[5-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is sourced from PubChem (CID 99838294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).