1,1-dimethyl-3-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)urea

C13H19N3O — CID 79154072

IUPAC1,1-dimethyl-3-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)urea
SMILESCC1CCc2cccc(NC(=O)N(C)C)c2N1
InChIInChI=1S/C13H19N3O/c1-9-7-8-10-5-4-6-11(12(10)14-9)15-13(17)16(2)3/h4-6,9,14H,7-8H2,1-3H3,(H,15,17)
InChIKeyVMBAJBWYSDFSPN-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.53
Rot. Bonds1

About 1,1-dimethyl-3-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)urea

1,1-dimethyl-3-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)urea (PubChem CID 79154072) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1,1-dimethyl-3-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)urea
PubChem CID79154072
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1,1-dimethyl-3-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)urea
SMILESCC1CCc2cccc(NC(=O)N(C)C)c2N1
InChIInChI=1S/C13H19N3O/c1-9-7-8-10-5-4-6-11(12(10)14-9)15-13(17)16(2)3/h4-6,9,14H,7-8H2,1-3H3,(H,15,17)
InChIKeyVMBAJBWYSDFSPN-UHFFFAOYSA-N
XLogP2.53
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-phenylacetamide
CID 62954785
3,3,3-trifluoro-N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propanamide
CID 62953750
N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)octanamide
CID 62952574
2-methyl-N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)oxolane-3-carboxamide
CID 79759818
N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propane-2-sulfonamide
CID 55153267
N-methyl-3-[(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)oxy]propanamide
CID 62324448
2-[(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)oxy]-N-phenylacetamide
CID 43825934
8-di(propan-2-yl)phosphoryl-2-methyl-1,2,3,4-tetrahydroquinoline
CID 142738926
N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 19696265
3-[2-(dimethylcarbamoylamino)-3-methylphenyl]-1,1-dimethylurea
CID 67750256
2-[(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)oxy]ethanol
CID 43197064
N-[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
CID 14836484

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)urea?
The IUPAC name of 1,1-dimethyl-3-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)urea (CID 79154072) is 1,1-dimethyl-3-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)urea?
The canonical SMILES for 1,1-dimethyl-3-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)urea is CC1CCc2cccc(NC(=O)N(C)C)c2N1.
What is the InChIKey of 1,1-dimethyl-3-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)urea?
The InChIKey is VMBAJBWYSDFSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-7-8-10-5-4-6-11(12(10)14-9)15-13(17)16(2)3/h4-6,9,14H,7-8H2,1-3H3,(H,15,17).
What are the key properties of 1,1-dimethyl-3-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)urea?
1,1-dimethyl-3-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)urea has a molecular weight of 233.31 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)urea is sourced from PubChem (CID 79154072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).