2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzamide

C18H18N2O3 — CID 4826105

IUPAC2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccccc1OCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C18H18N2O3/c19-18(22)14-8-2-4-10-16(14)23-12-17(21)20-11-5-7-13-6-1-3-9-15(13)20/h1-4,6,8-10H,5,7,11-12H2,(H2,19,22)
InChIKeyUXMVTMQRUJEKDD-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.14
Rot. Bonds4

About 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzamide

2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzamide (PubChem CID 4826105) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzamide
PubChem CID4826105
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccccc1OCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C18H18N2O3/c19-18(22)14-8-2-4-10-16(14)23-12-17(21)20-11-5-7-13-6-1-3-9-15(13)20/h1-4,6,8-10H,5,7,11-12H2,(H2,19,22)
InChIKeyUXMVTMQRUJEKDD-UHFFFAOYSA-N
XLogP2.14
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzamide?
The IUPAC name of 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzamide (CID 4826105) is 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzamide.
What is the SMILES notation for 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzamide?
The canonical SMILES for 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzamide is NC(=O)c1ccccc1OCC(=O)N1CCCc2ccccc21.
What is the InChIKey of 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzamide?
The InChIKey is UXMVTMQRUJEKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c19-18(22)14-8-2-4-10-16(14)23-12-17(21)20-11-5-7-13-6-1-3-9-15(13)20/h1-4,6,8-10H,5,7,11-12H2,(H2,19,22).
What are the key properties of 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzamide?
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzamide has a molecular weight of 310.35 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzamide is sourced from PubChem (CID 4826105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).