1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea

C13H19N3O — CID 66935877

IUPAC1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea
SMILESCC(C)NC(=O)Nc1ccc2c(c1)CCNC2
InChIInChI=1S/C13H19N3O/c1-9(2)15-13(17)16-12-4-3-11-8-14-6-5-10(11)7-12/h3-4,7,9,14H,5-6,8H2,1-2H3,(H2,15,16,17)
InChIKeyOTSZTPGDZYCAEA-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.86
Rot. Bonds2

About 1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea

1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea (PubChem CID 66935877) has the molecular formula C13H19N3O and a molecular weight of 233.32 g/mol. Its IUPAC name is 1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea.

Molecular Properties

Compound Name1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea
PubChem CID66935877
Molecular FormulaC13H19N3O
Molecular Weight233.32 g/mol
Exact Mass233.15
IUPAC Name1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea
SMILESCC(C)NC(=O)Nc1ccc2c(c1)CCNC2
InChIInChI=1S/C13H19N3O/c1-9(2)15-13(17)16-12-4-3-11-8-14-6-5-10(11)7-12/h3-4,7,9,14H,5-6,8H2,1-2H3,(H2,15,16,17)
InChIKeyOTSZTPGDZYCAEA-UHFFFAOYSA-N
XLogP1.86
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,2,3,4-tetrahydroisoquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 66935505
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide;hydrochloride
CID 119581054
1-[3-(dimethylamino)phenyl]-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea
CID 66935946
1-(4-fluorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea
CID 63901955
1-(cyclohexylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea
CID 66936252
1-[3-(difluoromethoxy)phenyl]-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea;hydrochloride
CID 66935452
3-hydroxy-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)butanamide;hydrochloride
CID 122447433
1-butyl-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea
CID 63901957
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 120882547
1-[1-(2,3-dichloro-4-methoxyphenyl)ethyl]-3-[4-(1,2,3,4-tetrahydroisoquinolin-6-ylsulfamoyl)phenyl]urea
CID 130447604
2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-3-hydroxybutanoic acid
CID 61183883
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 29039496

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea?
The IUPAC name of 1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea (CID 66935877) is 1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea.
What is the SMILES notation for 1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea?
The canonical SMILES for 1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea is CC(C)NC(=O)Nc1ccc2c(c1)CCNC2.
What is the InChIKey of 1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea?
The InChIKey is OTSZTPGDZYCAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9(2)15-13(17)16-12-4-3-11-8-14-6-5-10(11)7-12/h3-4,7,9,14H,5-6,8H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea?
1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea has a molecular weight of 233.32 g/mol, XLogP of 1.86, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea is sourced from PubChem (CID 66935877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).