1-[3-(dimethylamino)phenyl]-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea

C18H22N4O — CID 66935946

IUPAC1-[3-(dimethylamino)phenyl]-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea
SMILESCN(C)c1cccc(NC(=O)Nc2ccc3c(c2)CCNC3)c1
InChIInChI=1S/C18H22N4O/c1-22(2)17-5-3-4-15(11-17)20-18(23)21-16-7-6-14-12-19-9-8-13(14)10-16/h3-7,10-11,19H,8-9,12H2,1-2H3,(H2,20,21,23)
InChIKeyULHJLBIMEMLNGS-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.04
Rot. Bonds3

About 1-[3-(dimethylamino)phenyl]-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea

1-[3-(dimethylamino)phenyl]-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea (PubChem CID 66935946) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[3-(dimethylamino)phenyl]-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea.

Molecular Properties

Compound Name1-[3-(dimethylamino)phenyl]-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea
PubChem CID66935946
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-[3-(dimethylamino)phenyl]-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea
SMILESCN(C)c1cccc(NC(=O)Nc2ccc3c(c2)CCNC3)c1
InChIInChI=1S/C18H22N4O/c1-22(2)17-5-3-4-15(11-17)20-18(23)21-16-7-6-14-12-19-9-8-13(14)10-16/h3-7,10-11,19H,8-9,12H2,1-2H3,(H2,20,21,23)
InChIKeyULHJLBIMEMLNGS-UHFFFAOYSA-N
XLogP3.04
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea
CID 66935877
1-[3-(difluoromethoxy)phenyl]-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea;hydrochloride
CID 66935452
1-(1,2,3,4-tetrahydroisoquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 66935505
N-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]acetamide
CID 108884172
1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea
CID 108866355
1-(4-fluorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea
CID 63901955
1-[3-(dimethylamino)phenyl]-3-(2-hydroxyphenyl)urea
CID 108871519
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
1-[3-(dimethylamino)phenyl]-3-(2,3-dimethylquinoxalin-6-yl)urea
CID 108885626
1-(3-cyanophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 54344959
N-[3-(dimethylamino)phenyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585516
1-butyl-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea
CID 63901957

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)phenyl]-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea?
The IUPAC name of 1-[3-(dimethylamino)phenyl]-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea (CID 66935946) is 1-[3-(dimethylamino)phenyl]-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea.
What is the SMILES notation for 1-[3-(dimethylamino)phenyl]-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea?
The canonical SMILES for 1-[3-(dimethylamino)phenyl]-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea is CN(C)c1cccc(NC(=O)Nc2ccc3c(c2)CCNC3)c1.
What is the InChIKey of 1-[3-(dimethylamino)phenyl]-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea?
The InChIKey is ULHJLBIMEMLNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-22(2)17-5-3-4-15(11-17)20-18(23)21-16-7-6-14-12-19-9-8-13(14)10-16/h3-7,10-11,19H,8-9,12H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-[3-(dimethylamino)phenyl]-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea?
1-[3-(dimethylamino)phenyl]-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea has a molecular weight of 310.40 g/mol, XLogP of 3.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)phenyl]-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea is sourced from PubChem (CID 66935946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).