N-(3,5-dimethylphenyl)-2-[2-[(3R)-3-methylpiperidin-1-yl]quinolin-8-yl]oxyacetamide

C25H29N3O2 — CID 27476098

IUPACN-(3,5-dimethylphenyl)-2-[2-[(3R)-3-methylpiperidin-1-yl]quinolin-8-yl]oxyacetamide
SMILESCc1cc(C)cc(NC(=O)COc2cccc3ccc(N4CCC[C@@H](C)C4)nc23)c1
InChIInChI=1S/C25H29N3O2/c1-17-6-5-11-28(15-17)23-10-9-20-7-4-8-22(25(20)27-23)30-16-24(29)26-21-13-18(2)12-19(3)14-21/h4,7-10,12-14,17H,5-6,11,15-16H2,1-3H3,(H,26,29)/t17-/m1/s1
InChIKeyLYBKMGIIPTZZDW-QGZVFWFLSA-N
MW403.53 g/mol
LogP5.11
Rot. Bonds5

About N-(3,5-dimethylphenyl)-2-[2-[(3R)-3-methylpiperidin-1-yl]quinolin-8-yl]oxyacetamide

N-(3,5-dimethylphenyl)-2-[2-[(3R)-3-methylpiperidin-1-yl]quinolin-8-yl]oxyacetamide (PubChem CID 27476098) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[2-[(3R)-3-methylpiperidin-1-yl]quinolin-8-yl]oxyacetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[2-[(3R)-3-methylpiperidin-1-yl]quinolin-8-yl]oxyacetamide
PubChem CID27476098
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC NameN-(3,5-dimethylphenyl)-2-[2-[(3R)-3-methylpiperidin-1-yl]quinolin-8-yl]oxyacetamide
SMILESCc1cc(C)cc(NC(=O)COc2cccc3ccc(N4CCC[C@@H](C)C4)nc23)c1
InChIInChI=1S/C25H29N3O2/c1-17-6-5-11-28(15-17)23-10-9-20-7-4-8-22(25(20)27-23)30-16-24(29)26-21-13-18(2)12-19(3)14-21/h4,7-10,12-14,17H,5-6,11,15-16H2,1-3H3,(H,26,29)/t17-/m1/s1
InChIKeyLYBKMGIIPTZZDW-QGZVFWFLSA-N
XLogP5.11
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[2-[(3R)-3-methylpiperidin-1-yl]quinolin-8-yl]oxyacetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[2-[(3R)-3-methylpiperidin-1-yl]quinolin-8-yl]oxyacetamide (CID 27476098) is N-(3,5-dimethylphenyl)-2-[2-[(3R)-3-methylpiperidin-1-yl]quinolin-8-yl]oxyacetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[2-[(3R)-3-methylpiperidin-1-yl]quinolin-8-yl]oxyacetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[2-[(3R)-3-methylpiperidin-1-yl]quinolin-8-yl]oxyacetamide is Cc1cc(C)cc(NC(=O)COc2cccc3ccc(N4CCC[C@@H](C)C4)nc23)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[2-[(3R)-3-methylpiperidin-1-yl]quinolin-8-yl]oxyacetamide?
The InChIKey is LYBKMGIIPTZZDW-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-17-6-5-11-28(15-17)23-10-9-20-7-4-8-22(25(20)27-23)30-16-24(29)26-21-13-18(2)12-19(3)14-21/h4,7-10,12-14,17H,5-6,11,15-16H2,1-3H3,(H,26,29)/t17-/m1/s1.
What are the key properties of N-(3,5-dimethylphenyl)-2-[2-[(3R)-3-methylpiperidin-1-yl]quinolin-8-yl]oxyacetamide?
N-(3,5-dimethylphenyl)-2-[2-[(3R)-3-methylpiperidin-1-yl]quinolin-8-yl]oxyacetamide has a molecular weight of 403.53 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[2-[(3R)-3-methylpiperidin-1-yl]quinolin-8-yl]oxyacetamide is sourced from PubChem (CID 27476098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).