N-(1-azabicyclo[3.2.1]octan-5-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide

C18H23N3O3 — CID 154869998

IUPACN-(1-azabicyclo[3.2.1]octan-5-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
SMILESO=C1CCc2cc(OCC(=O)NC34CCCN(CC3)C4)ccc2N1
InChIInChI=1S/C18H23N3O3/c22-16-5-2-13-10-14(3-4-15(13)19-16)24-11-17(23)20-18-6-1-8-21(12-18)9-7-18/h3-4,10H,1-2,5-9,11-12H2,(H,19,22)(H,20,23)
InChIKeyPZWXVOCVWIZUSI-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.30
Rot. Bonds4

About N-(1-azabicyclo[3.2.1]octan-5-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide

N-(1-azabicyclo[3.2.1]octan-5-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide (PubChem CID 154869998) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(1-azabicyclo[3.2.1]octan-5-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(1-azabicyclo[3.2.1]octan-5-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
PubChem CID154869998
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-(1-azabicyclo[3.2.1]octan-5-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
SMILESO=C1CCc2cc(OCC(=O)NC34CCCN(CC3)C4)ccc2N1
InChIInChI=1S/C18H23N3O3/c22-16-5-2-13-10-14(3-4-15(13)19-16)24-11-17(23)20-18-6-1-8-21(12-18)9-7-18/h3-4,10H,1-2,5-9,11-12H2,(H,19,22)(H,20,23)
InChIKeyPZWXVOCVWIZUSI-UHFFFAOYSA-N
XLogP1.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.2.1]octan-5-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The IUPAC name of N-(1-azabicyclo[3.2.1]octan-5-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide (CID 154869998) is N-(1-azabicyclo[3.2.1]octan-5-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide.
What is the SMILES notation for N-(1-azabicyclo[3.2.1]octan-5-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The canonical SMILES for N-(1-azabicyclo[3.2.1]octan-5-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide is O=C1CCc2cc(OCC(=O)NC34CCCN(CC3)C4)ccc2N1.
What is the InChIKey of N-(1-azabicyclo[3.2.1]octan-5-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The InChIKey is PZWXVOCVWIZUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-16-5-2-13-10-14(3-4-15(13)19-16)24-11-17(23)20-18-6-1-8-21(12-18)9-7-18/h3-4,10H,1-2,5-9,11-12H2,(H,19,22)(H,20,23).
What are the key properties of N-(1-azabicyclo[3.2.1]octan-5-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
N-(1-azabicyclo[3.2.1]octan-5-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide has a molecular weight of 329.40 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[3.2.1]octan-5-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide is sourced from PubChem (CID 154869998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).