N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide

C22H24N4O2 — CID 97131820

IUPACN-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
SMILESC[C@H](CN1CCc2ccccc2C1)NC(=O)Cn1ncc2ccccc2c1=O
InChIInChI=1S/C22H24N4O2/c1-16(13-25-11-10-17-6-2-3-8-19(17)14-25)24-21(27)15-26-22(28)20-9-5-4-7-18(20)12-23-26/h2-9,12,16H,10-11,13-15H2,1H3,(H,24,27)/t16-/m1/s1
InChIKeyDTFWSATXIABCLR-MRXNPFEDSA-N
MW376.46 g/mol
LogP1.96
Rot. Bonds5

About N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide

N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide (PubChem CID 97131820) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
PubChem CID97131820
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
SMILESC[C@H](CN1CCc2ccccc2C1)NC(=O)Cn1ncc2ccccc2c1=O
InChIInChI=1S/C22H24N4O2/c1-16(13-25-11-10-17-6-2-3-8-19(17)14-25)24-21(27)15-26-22(28)20-9-5-4-7-18(20)12-23-26/h2-9,12,16H,10-11,13-15H2,1H3,(H,24,27)/t16-/m1/s1
InChIKeyDTFWSATXIABCLR-MRXNPFEDSA-N
XLogP1.96
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 70746163
N-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9369028
N-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 9369051
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9369275
3-methyl-2-[[2-(1-oxophthalazin-2-yl)acetyl]amino]pentanoic acid
CID 53368322
1-[[2-(1-oxophthalazin-2-yl)acetyl]amino]-3-[(1R)-1-phenylethyl]thiourea
CID 2224766
N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 93242311
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 39997377
N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-2H-triazole-4-carboxamide
CID 95707705
1-[(2S)-1-(1-oxophthalazin-2-yl)propan-2-yl]-3-(2,2,3-trimethylbutyl)urea
CID 99823287
(E)-4-(dimethylamino)-N-[1-(1-oxophthalazin-2-yl)propan-2-yl]but-2-enamide
CID 146097626
N-(3-hydroxypropyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 110886182

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide (CID 97131820) is N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide is C[C@H](CN1CCc2ccccc2C1)NC(=O)Cn1ncc2ccccc2c1=O.
What is the InChIKey of N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide?
The InChIKey is DTFWSATXIABCLR-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16(13-25-11-10-17-6-2-3-8-19(17)14-25)24-21(27)15-26-22(28)20-9-5-4-7-18(20)12-23-26/h2-9,12,16H,10-11,13-15H2,1H3,(H,24,27)/t16-/m1/s1.
What are the key properties of N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide?
N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide has a molecular weight of 376.46 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 97131820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).