1-ethyl-3-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]urea

C13H21N3O2 — CID 110196520

IUPAC1-ethyl-3-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]urea
SMILESCCNC(=O)NCC12CCCC=C1NC(=O)CC2
InChIInChI=1S/C13H21N3O2/c1-2-14-12(18)15-9-13-7-4-3-5-10(13)16-11(17)6-8-13/h5H,2-4,6-9H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyWEKRZNDLLSBWBU-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.27
Rot. Bonds3

About 1-ethyl-3-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]urea

1-ethyl-3-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]urea (PubChem CID 110196520) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-ethyl-3-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]urea
PubChem CID110196520
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-ethyl-3-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]urea
SMILESCCNC(=O)NCC12CCCC=C1NC(=O)CC2
InChIInChI=1S/C13H21N3O2/c1-2-14-12(18)15-9-13-7-4-3-5-10(13)16-11(17)6-8-13/h5H,2-4,6-9H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyWEKRZNDLLSBWBU-UHFFFAOYSA-N
XLogP1.27
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-3-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]urea with MolForge

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Launch Full Analysis

Related Compounds

1-[(2-Oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]-3-propan-2-ylurea
CID 110196521
N-[(2-Oxo-1,3,4,5,6,7-hexahydro-4A(2H)-quinolinyl)methyl]cyclopropanecarboxamide
CID 110196525
1-Cyclopentyl-N~4A~-ethyl-2-oxo-1,3,4,5,6,7-hexahydro-4A(2H)-quinolinecarboxamide
CID 110203908
3-(3-Ethoxypropyl)-1-[(2-oxo-1,2,3,4,4A,5,6,7-octahydroquinolin-4A-YL)methyl]urea
CID 91909506
2-cyclopentyl-N-{[1-methyl-2-oxo-1,3,4,5,6,7-hexahydro-4(2H)-quinolinyl]methyl}acetamide
CID 91920200
2-methoxy-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]acetamide
CID 110196523
2-methyl-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide
CID 110196524
N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]cyclobutanecarboxamide
CID 110196526
N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide
CID 110196527
N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]acetamide
CID 110196532
2-Methyl-N-[(1-methyl-2-oxo-1,2,3,4,4A,5,6,7-octahydroquinolin-4A-YL)methyl]propanamide
CID 110196536
N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclopropanecarboxamide
CID 110196537

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]urea?
The IUPAC name of 1-ethyl-3-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]urea (CID 110196520) is 1-ethyl-3-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]urea.
What is the SMILES notation for 1-ethyl-3-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]urea?
The canonical SMILES for 1-ethyl-3-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]urea is CCNC(=O)NCC12CCCC=C1NC(=O)CC2.
What is the InChIKey of 1-ethyl-3-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]urea?
The InChIKey is WEKRZNDLLSBWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-14-12(18)15-9-13-7-4-3-5-10(13)16-11(17)6-8-13/h5H,2-4,6-9H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 1-ethyl-3-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]urea?
1-ethyl-3-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]urea has a molecular weight of 251.33 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]urea is sourced from PubChem (CID 110196520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).