1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(3-phenylmethoxyphenyl)urea

C24H25N3O2 — CID 54334124

IUPAC1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(3-phenylmethoxyphenyl)urea
SMILESCN1CCc2ccc(NC(=O)Nc3cccc(OCc4ccccc4)c3)cc2C1
InChIInChI=1S/C24H25N3O2/c1-27-13-12-19-10-11-22(14-20(19)16-27)26-24(28)25-21-8-5-9-23(15-21)29-17-18-6-3-2-4-7-18/h2-11,14-15H,12-13,16-17H2,1H3,(H2,25,26,28)
InChIKeyTUGDOGBSELNANB-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.90
Rot. Bonds5

About 1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(3-phenylmethoxyphenyl)urea

1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(3-phenylmethoxyphenyl)urea (PubChem CID 54334124) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(3-phenylmethoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(3-phenylmethoxyphenyl)urea
PubChem CID54334124
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(3-phenylmethoxyphenyl)urea
SMILESCN1CCc2ccc(NC(=O)Nc3cccc(OCc4ccccc4)c3)cc2C1
InChIInChI=1S/C24H25N3O2/c1-27-13-12-19-10-11-22(14-20(19)16-27)26-24(28)25-21-8-5-9-23(15-21)29-17-18-6-3-2-4-7-18/h2-11,14-15H,12-13,16-17H2,1H3,(H2,25,26,28)
InChIKeyTUGDOGBSELNANB-UHFFFAOYSA-N
XLogP4.90
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-benzoylphenyl)-3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)urea
CID 44533311
1-(3-fluorophenyl)-3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)urea
CID 54022788
benzyl 2-methyl-3,4-dihydro-1H-isoquinoline-7-carboxylate
CID 170318468
2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 18687364
N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-naphthalen-1-ylacetamide
CID 139894614
2-piperidin-1-ylethyl N-(3-phenylmethoxyphenyl)carbamate;hydrochloride
CID 138398426
1-[4-(3-phenylmethoxyanilino)phenyl]ethanone
CID 174285774
2-[benzyl(methyl)amino]-N-(3-phenylmethoxyphenyl)acetamide
CID 54808615
4-[(3-acetamidophenoxy)methyl]benzoic acid
CID 28829525
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
(2S,4S)-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-phenoxy-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 172887192
methyl 7-[(3-methylphenyl)carbamoylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 121034895

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(3-phenylmethoxyphenyl)urea?
The IUPAC name of 1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(3-phenylmethoxyphenyl)urea (CID 54334124) is 1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(3-phenylmethoxyphenyl)urea.
What is the SMILES notation for 1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(3-phenylmethoxyphenyl)urea?
The canonical SMILES for 1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(3-phenylmethoxyphenyl)urea is CN1CCc2ccc(NC(=O)Nc3cccc(OCc4ccccc4)c3)cc2C1.
What is the InChIKey of 1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(3-phenylmethoxyphenyl)urea?
The InChIKey is TUGDOGBSELNANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-27-13-12-19-10-11-22(14-20(19)16-27)26-24(28)25-21-8-5-9-23(15-21)29-17-18-6-3-2-4-7-18/h2-11,14-15H,12-13,16-17H2,1H3,(H2,25,26,28).
What are the key properties of 1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(3-phenylmethoxyphenyl)urea?
1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(3-phenylmethoxyphenyl)urea has a molecular weight of 387.48 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(3-phenylmethoxyphenyl)urea is sourced from PubChem (CID 54334124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).