1-benzyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea

C17H19N3O — CID 107654114

IUPAC1-benzyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea
SMILESO=C(NCc1ccccc1)Nc1ccc2c(c1)NCCC2
InChIInChI=1S/C17H19N3O/c21-17(19-12-13-5-2-1-3-6-13)20-15-9-8-14-7-4-10-18-16(14)11-15/h1-3,5-6,8-9,11,18H,4,7,10,12H2,(H2,19,20,21)
InChIKeyOAIOCOLUMFLEGH-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.37
Rot. Bonds3

About 1-benzyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea

1-benzyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea (PubChem CID 107654114) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-benzyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea.

Molecular Properties

Compound Name1-benzyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea
PubChem CID107654114
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-benzyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea
SMILESO=C(NCc1ccccc1)Nc1ccc2c(c1)NCCC2
InChIInChI=1S/C17H19N3O/c21-17(19-12-13-5-2-1-3-6-13)20-15-9-8-14-7-4-10-18-16(14)11-15/h1-3,5-6,8-9,11,18H,4,7,10,12H2,(H2,19,20,21)
InChIKeyOAIOCOLUMFLEGH-UHFFFAOYSA-N
XLogP3.37
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-3-(1,2,3,4-tetrahydroquinolin-7-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-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea
CID 63928941
1-benzyl-3-(1,2,3,4-tetrahydroquinolin-8-yl)urea
CID 107653389
N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-2-carboxamide
CID 63929977
2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63930393
N-benzyl-7-(benzylcarbamoylamino)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 24803963
1-benzyl-3-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)urea
CID 110774636
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-[(4-fluorophenyl)methyl]urea
CID 30372619
2-cyclohexyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide
CID 63931236
1-benzyl-3-[4-(3-cyanophenyl)-2,3-dihydro-1H-1,5-benzodiazepin-8-yl]urea
CID 123686026
2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)cyclopropane-1-carboxamide
CID 63928713
5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-2-carboxamide
CID 63929568
1-[(4-cyclopropylphenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)urea
CID 119048802

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea?
The IUPAC name of 1-benzyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea (CID 107654114) is 1-benzyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea.
What is the SMILES notation for 1-benzyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea?
The canonical SMILES for 1-benzyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea is O=C(NCc1ccccc1)Nc1ccc2c(c1)NCCC2.
What is the InChIKey of 1-benzyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea?
The InChIKey is OAIOCOLUMFLEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c21-17(19-12-13-5-2-1-3-6-13)20-15-9-8-14-7-4-10-18-16(14)11-15/h1-3,5-6,8-9,11,18H,4,7,10,12H2,(H2,19,20,21).
What are the key properties of 1-benzyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea?
1-benzyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea has a molecular weight of 281.36 g/mol, XLogP of 3.37, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea is sourced from PubChem (CID 107654114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).