1,1-diethyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea

C14H21N3O — CID 79161957

IUPAC1,1-diethyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea
SMILESCCN(CC)C(=O)Nc1cccc2c1CCCN2
InChIInChI=1S/C14H21N3O/c1-3-17(4-2)14(18)16-13-9-5-8-12-11(13)7-6-10-15-12/h5,8-9,15H,3-4,6-7,10H2,1-2H3,(H,16,18)
InChIKeyWCBPYFJWOCDOON-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.92
Rot. Bonds3

About 1,1-diethyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea

1,1-diethyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea (PubChem CID 79161957) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1,1-diethyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea
PubChem CID79161957
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1,1-diethyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea
SMILESCCN(CC)C(=O)Nc1cccc2c1CCCN2
InChIInChI=1S/C14H21N3O/c1-3-17(4-2)14(18)16-13-9-5-8-12-11(13)7-6-10-15-12/h5,8-9,15H,3-4,6-7,10H2,1-2H3,(H,16,18)
InChIKeyWCBPYFJWOCDOON-UHFFFAOYSA-N
XLogP2.92
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,1-diethyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-propyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea
CID 28786606
N-(1,2,3,4-tetrahydroquinolin-5-yl)nonanamide
CID 65447430
N-(1,2,3,4-tetrahydroquinolin-5-yl)cyclooctanecarboxamide
CID 65018541
2-cycloheptyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)acetamide
CID 114457423
N-butyl-N-ethyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55126978
1-methyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)imidazole-4-carboxamide
CID 107971880
2-[ethyl(1,2,3,4-tetrahydroquinolin-5-yl)amino]-N-methylacetamide
CID 81214646
N-ethyl-N-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55126597
3-(oxolan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-5-yl)propanamide
CID 65154594
2-chloro-5-hydroxy-N-(1,2,3,4-tetrahydroquinolin-5-yl)benzamide
CID 106500914
N-(propylsulfamoyl)-1,2,3,4-tetrahydroquinolin-5-amine
CID 114807431
3-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea
CID 82245948

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea?
The IUPAC name of 1,1-diethyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea (CID 79161957) is 1,1-diethyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea.
What is the SMILES notation for 1,1-diethyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea?
The canonical SMILES for 1,1-diethyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea is CCN(CC)C(=O)Nc1cccc2c1CCCN2.
What is the InChIKey of 1,1-diethyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea?
The InChIKey is WCBPYFJWOCDOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-17(4-2)14(18)16-13-9-5-8-12-11(13)7-6-10-15-12/h5,8-9,15H,3-4,6-7,10H2,1-2H3,(H,16,18).
What are the key properties of 1,1-diethyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea?
1,1-diethyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea has a molecular weight of 247.34 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea is sourced from PubChem (CID 79161957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).