1-benzyl-3-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea

C20H25N3O — CID 30867657

IUPAC1-benzyl-3-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
SMILESCN1CCCc2cc(CCNC(=O)NCc3ccccc3)ccc21
InChIInChI=1S/C20H25N3O/c1-23-13-5-8-18-14-16(9-10-19(18)23)11-12-21-20(24)22-15-17-6-3-2-4-7-17/h2-4,6-7,9-10,14H,5,8,11-13,15H2,1H3,(H2,21,22,24)
InChIKeyVBAJERDMOZZBLW-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.11
Rot. Bonds5

About 1-benzyl-3-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea

1-benzyl-3-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea (PubChem CID 30867657) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-benzyl-3-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
PubChem CID30867657
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-benzyl-3-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
SMILESCN1CCCc2cc(CCNC(=O)NCc3ccccc3)ccc21
InChIInChI=1S/C20H25N3O/c1-23-13-5-8-18-14-16(9-10-19(18)23)11-12-21-20(24)22-15-17-6-3-2-4-7-17/h2-4,6-7,9-10,14H,5,8,11-13,15H2,1H3,(H2,21,22,24)
InChIKeyVBAJERDMOZZBLW-UHFFFAOYSA-N
XLogP3.11
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-3-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]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

6-Methyl-1,2,3,4-tetrahydroquinoline
CID 66678
Atglistatin
CID 71699712
N-(2,6-bis(1-methylethyl)phenyl)-N'-((1-(4-(dimethylamino)phenyl)cyclopentyl)methyl)urea hydrochloride
CID 131678
3,4-Dihydro-3-methyl-2(1H)-quinazolinone
CID 3846558
1-Cyclohexyl-3-(P-tolyl)urea
CID 280350
Urea, N,N''-(methylenedi-4,1-phenylene)bis[N',N'-dimethyl-
CID 305607
Nevanimibe
CID 131679
N-Octyl-N'-(4-((4-(((octylamino)carbonyl)amino)phenyl)methyl)phenyl)urea
CID 14299396
3-(1-Benzylpiperidin-4-yl)-1-phenylurea
CID 4064342
N,N'-(4-Methyl-1,3-phenylene)bis(1-piperidinecarboxamide)
CID 341869
3-{2-[Ethyl(3-methylphenyl)amino]ethyl}-1-(2-methylphenyl)urea
CID 4996665
1-(Biphenyl-4-yl)-3-(4-(piperidin-1-yl)butyl)urea
CID 46831055

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea?
The IUPAC name of 1-benzyl-3-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea (CID 30867657) is 1-benzyl-3-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea.
What is the SMILES notation for 1-benzyl-3-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea?
The canonical SMILES for 1-benzyl-3-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea is CN1CCCc2cc(CCNC(=O)NCc3ccccc3)ccc21.
What is the InChIKey of 1-benzyl-3-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea?
The InChIKey is VBAJERDMOZZBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-23-13-5-8-18-14-16(9-10-19(18)23)11-12-21-20(24)22-15-17-6-3-2-4-7-17/h2-4,6-7,9-10,14H,5,8,11-13,15H2,1H3,(H2,21,22,24).
What are the key properties of 1-benzyl-3-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea?
1-benzyl-3-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea has a molecular weight of 323.44 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea is sourced from PubChem (CID 30867657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).