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

C24H23N3O2 — CID 44533311

IUPAC1-(3-benzoylphenyl)-3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)urea
SMILESCN1CCc2ccc(NC(=O)Nc3cccc(C(=O)c4ccccc4)c3)cc2C1
InChIInChI=1S/C24H23N3O2/c1-27-13-12-17-10-11-22(15-20(17)16-27)26-24(29)25-21-9-5-8-19(14-21)23(28)18-6-3-2-4-7-18/h2-11,14-15H,12-13,16H2,1H3,(H2,25,26,29)
InChIKeyVFXYWPUZZYDQNC-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.55
Rot. Bonds4

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

1-(3-benzoylphenyl)-3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)urea (PubChem CID 44533311) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-(3-benzoylphenyl)-3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)urea.

Molecular Properties

Compound Name1-(3-benzoylphenyl)-3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)urea
PubChem CID44533311
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name1-(3-benzoylphenyl)-3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)urea
SMILESCN1CCc2ccc(NC(=O)Nc3cccc(C(=O)c4ccccc4)c3)cc2C1
InChIInChI=1S/C24H23N3O2/c1-27-13-12-17-10-11-22(15-20(17)16-27)26-24(29)25-21-9-5-8-19(14-21)23(28)18-6-3-2-4-7-18/h2-11,14-15H,12-13,16H2,1H3,(H2,25,26,29)
InChIKeyVFXYWPUZZYDQNC-UHFFFAOYSA-N
XLogP4.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)urea
CID 54022788
1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(3-phenylmethoxyphenyl)urea
CID 54334124
N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(2,2,2-trifluoroacetyl)benzamide
CID 22597792
3-(2,2-dimethylpropanoyl)-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;hydrochloride
CID 142644342
N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-naphthalen-1-ylacetamide
CID 139894614
4-bromo-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 22597703
2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 18687364
methyl 3-[3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enoylamino]benzoate
CID 54342998
methyl 7-[(3-methylphenyl)carbamoylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 121034895
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-phenylurea
CID 46384404
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)urea
CID 54162775
3-chloro-4-ethyl-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]benzamide
CID 59190879

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzoylphenyl)-3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)urea?
The IUPAC name of 1-(3-benzoylphenyl)-3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)urea (CID 44533311) is 1-(3-benzoylphenyl)-3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)urea.
What is the SMILES notation for 1-(3-benzoylphenyl)-3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)urea?
The canonical SMILES for 1-(3-benzoylphenyl)-3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)urea is CN1CCc2ccc(NC(=O)Nc3cccc(C(=O)c4ccccc4)c3)cc2C1.
What is the InChIKey of 1-(3-benzoylphenyl)-3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)urea?
The InChIKey is VFXYWPUZZYDQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-27-13-12-17-10-11-22(15-20(17)16-27)26-24(29)25-21-9-5-8-19(14-21)23(28)18-6-3-2-4-7-18/h2-11,14-15H,12-13,16H2,1H3,(H2,25,26,29).
What are the key properties of 1-(3-benzoylphenyl)-3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)urea?
1-(3-benzoylphenyl)-3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)urea has a molecular weight of 385.47 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzoylphenyl)-3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)urea is sourced from PubChem (CID 44533311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).