1-ethyl-3-[(5-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)methyl]urea

C14H21N3O2 — CID 122188226

IUPAC1-ethyl-3-[(5-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)methyl]urea
SMILESCCNC(=O)NCC1CCc2c(cccc2OC)N1
InChIInChI=1S/C14H21N3O2/c1-3-15-14(18)16-9-10-7-8-11-12(17-10)5-4-6-13(11)19-2/h4-6,10,17H,3,7-9H2,1-2H3,(H2,15,16,18)
InChIKeyQFOWUHLPMWFVDJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.74
Rot. Bonds4

About 1-ethyl-3-[(5-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)methyl]urea

1-ethyl-3-[(5-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)methyl]urea (PubChem CID 122188226) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-ethyl-3-[(5-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(5-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)methyl]urea
PubChem CID122188226
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-ethyl-3-[(5-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)methyl]urea
SMILESCCNC(=O)NCC1CCc2c(cccc2OC)N1
InChIInChI=1S/C14H21N3O2/c1-3-15-14(18)16-9-10-7-8-11-12(17-10)5-4-6-13(11)19-2/h4-6,10,17H,3,7-9H2,1-2H3,(H2,15,16,18)
InChIKeyQFOWUHLPMWFVDJ-UHFFFAOYSA-N
XLogP1.74
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(5-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)methyl]urea?
The IUPAC name of 1-ethyl-3-[(5-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)methyl]urea (CID 122188226) is 1-ethyl-3-[(5-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)methyl]urea.
What is the SMILES notation for 1-ethyl-3-[(5-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)methyl]urea?
The canonical SMILES for 1-ethyl-3-[(5-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)methyl]urea is CCNC(=O)NCC1CCc2c(cccc2OC)N1.
What is the InChIKey of 1-ethyl-3-[(5-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)methyl]urea?
The InChIKey is QFOWUHLPMWFVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-15-14(18)16-9-10-7-8-11-12(17-10)5-4-6-13(11)19-2/h4-6,10,17H,3,7-9H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-ethyl-3-[(5-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)methyl]urea?
1-ethyl-3-[(5-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)methyl]urea has a molecular weight of 263.34 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(5-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)methyl]urea is sourced from PubChem (CID 122188226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).