1-(4-methylphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea

C17H19N3O — CID 43808490

IUPAC1-(4-methylphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea
SMILESCc1ccc(NC(=O)Nc2cccc3c2CCNC3)cc1
InChIInChI=1S/C17H19N3O/c1-12-5-7-14(8-6-12)19-17(21)20-16-4-2-3-13-11-18-10-9-15(13)16/h2-8,18H,9-11H2,1H3,(H2,19,20,21)
InChIKeyDRRWKLLCWPYUPT-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.28
Rot. Bonds2

About 1-(4-methylphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea

1-(4-methylphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea (PubChem CID 43808490) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea
PubChem CID43808490
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-(4-methylphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea
SMILESCc1ccc(NC(=O)Nc2cccc3c2CCNC3)cc1
InChIInChI=1S/C17H19N3O/c1-12-5-7-14(8-6-12)19-17(21)20-16-4-2-3-13-11-18-10-9-15(13)16/h2-8,18H,9-11H2,1H3,(H2,19,20,21)
InChIKeyDRRWKLLCWPYUPT-UHFFFAOYSA-N
XLogP3.28
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 43808455
2,2,3,3-tetramethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)cyclopropane-1-carboxamide
CID 80554406
1-[2-[(2S)-2-aminopropanoyl]-3,4-dihydro-1H-isoquinolin-5-yl]-3-(4-methylphenyl)urea;hydrochloride
CID 119321649
2-hydroxy-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 80547709
2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 43808436
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)furan-3-carboxamide
CID 80554325
2-[5-[(4-methylphenyl)carbamoylamino]-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-N-phenylacetamide
CID 86903638
1-(2-cyclopropyl-2-methylpropyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea
CID 138021590
2,6-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80547895
4-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)benzamide
CID 80554550
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)cyclopentane-1-carboxamide
CID 107176797
1-(4-aminophenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 43468950

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea?
The IUPAC name of 1-(4-methylphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea (CID 43808490) is 1-(4-methylphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea?
The canonical SMILES for 1-(4-methylphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea is Cc1ccc(NC(=O)Nc2cccc3c2CCNC3)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea?
The InChIKey is DRRWKLLCWPYUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-5-7-14(8-6-12)19-17(21)20-16-4-2-3-13-11-18-10-9-15(13)16/h2-8,18H,9-11H2,1H3,(H2,19,20,21).
What are the key properties of 1-(4-methylphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea?
1-(4-methylphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea has a molecular weight of 281.36 g/mol, XLogP of 3.28, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea is sourced from PubChem (CID 43808490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).