3-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-ethyl-1-methylurea

C15H21N3O2 — CID 166185788

IUPAC3-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)NC1CCN(C(C)=O)c2ccccc21
InChIInChI=1S/C15H21N3O2/c1-4-17(3)15(20)16-13-9-10-18(11(2)19)14-8-6-5-7-12(13)14/h5-8,13H,4,9-10H2,1-3H3,(H,16,20)
InChIKeyGNOQJORAYJMXLY-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.15
Rot. Bonds2

About 3-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-ethyl-1-methylurea

3-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-ethyl-1-methylurea (PubChem CID 166185788) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-ethyl-1-methylurea.

Molecular Properties

Compound Name3-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-ethyl-1-methylurea
PubChem CID166185788
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)NC1CCN(C(C)=O)c2ccccc21
InChIInChI=1S/C15H21N3O2/c1-4-17(3)15(20)16-13-9-10-18(11(2)19)14-8-6-5-7-12(13)14/h5-8,13H,4,9-10H2,1-3H3,(H,16,20)
InChIKeyGNOQJORAYJMXLY-UHFFFAOYSA-N
XLogP2.15
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-ethyl-1-methylurea?
The IUPAC name of 3-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-ethyl-1-methylurea (CID 166185788) is 3-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-ethyl-1-methylurea.
What is the SMILES notation for 3-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-ethyl-1-methylurea?
The canonical SMILES for 3-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-ethyl-1-methylurea is CCN(C)C(=O)NC1CCN(C(C)=O)c2ccccc21.
What is the InChIKey of 3-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-ethyl-1-methylurea?
The InChIKey is GNOQJORAYJMXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-17(3)15(20)16-13-9-10-18(11(2)19)14-8-6-5-7-12(13)14/h5-8,13H,4,9-10H2,1-3H3,(H,16,20).
What are the key properties of 3-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-ethyl-1-methylurea?
3-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-ethyl-1-methylurea has a molecular weight of 275.35 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-ethyl-1-methylurea is sourced from PubChem (CID 166185788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).