1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea

C22H26N4O2 — CID 72938159

IUPAC1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESCN1Cc2ccccc2CC1CNC(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H26N4O2/c1-25-15-17-6-3-2-5-16(17)13-20(25)14-23-22(28)24-18-8-10-19(11-9-18)26-12-4-7-21(26)27/h2-3,5-6,8-11,20H,4,7,12-15H2,1H3,(H2,23,24,28)
InChIKeyYRGHEKDLHMCJEN-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.99
Rot. Bonds4

About 1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea

1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea (PubChem CID 72938159) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
PubChem CID72938159
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESCN1Cc2ccccc2CC1CNC(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H26N4O2/c1-25-15-17-6-3-2-5-16(17)13-20(25)14-23-22(28)24-18-8-10-19(11-9-18)26-12-4-7-21(26)27/h2-3,5-6,8-11,20H,4,7,12-15H2,1H3,(H2,23,24,28)
InChIKeyYRGHEKDLHMCJEN-UHFFFAOYSA-N
XLogP2.99
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea with MolForge

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Related Compounds

N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
1-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-3-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]urea
CID 135214409
1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 97443663
1-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-3-(2-methyl-1-phenylpropan-2-yl)urea
CID 135214421
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 86987752
1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]urea
CID 125170165
N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8745955
2-[methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]amino]-N-(4-methylphenyl)acetamide
CID 8786075
3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 18072161
2-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55816777
2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686374
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
The IUPAC name of 1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea (CID 72938159) is 1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
The canonical SMILES for 1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea is CN1Cc2ccccc2CC1CNC(=O)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
The InChIKey is YRGHEKDLHMCJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-25-15-17-6-3-2-5-16(17)13-20(25)14-23-22(28)24-18-8-10-19(11-9-18)26-12-4-7-21(26)27/h2-3,5-6,8-11,20H,4,7,12-15H2,1H3,(H2,23,24,28).
What are the key properties of 1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea has a molecular weight of 378.48 g/mol, XLogP of 2.99, 4 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-3-yl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea is sourced from PubChem (CID 72938159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).