N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide

C22H24N4O2 — CID 86925824

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide
SMILESO=C(CCn1ncc(=O)c2ccccc21)NCCN1CCc2ccccc2C1
InChIInChI=1S/C22H24N4O2/c27-21-15-24-26(20-8-4-3-7-19(20)21)13-10-22(28)23-11-14-25-12-9-17-5-1-2-6-18(17)16-25/h1-8,15H,9-14,16H2,(H,23,28)
InChIKeyKWPNQUXTNQDDLM-UHFFFAOYSA-N
MW376.46 g/mol
LogP1.96
Rot. Bonds6

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide (PubChem CID 86925824) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide
PubChem CID86925824
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide
SMILESO=C(CCn1ncc(=O)c2ccccc21)NCCN1CCc2ccccc2C1
InChIInChI=1S/C22H24N4O2/c27-21-15-24-26(20-8-4-3-7-19(20)21)13-10-22(28)23-11-14-25-12-9-17-5-1-2-6-18(17)16-25/h1-8,15H,9-14,16H2,(H,23,28)
InChIKeyKWPNQUXTNQDDLM-UHFFFAOYSA-N
XLogP1.96
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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-(2,3-dihydro-1H-inden-5-yl)-3-(4-oxocinnolin-1-yl)propanamide
CID 18097807
3-(4-oxocinnolin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
CID 17490457
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 94096632
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(methylamino)butanamide
CID 119850084
3-(4-oxocinnolin-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 51265428
N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 98784775
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 109381292
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide
CID 46375691
N-[[(3S)-oxan-3-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 94632802
N-(2-tert-butylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 134015345
1-[3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-oxopropyl]cinnolin-4-one
CID 9489683
1-[3-[(2S)-2-cyclopentylpyrrolidin-1-yl]-3-oxopropyl]cinnolin-4-one
CID 94637302

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide (CID 86925824) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide is O=C(CCn1ncc(=O)c2ccccc21)NCCN1CCc2ccccc2C1.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide?
The InChIKey is KWPNQUXTNQDDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-21-15-24-26(20-8-4-3-7-19(20)21)13-10-22(28)23-11-14-25-12-9-17-5-1-2-6-18(17)16-25/h1-8,15H,9-14,16H2,(H,23,28).
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide has a molecular weight of 376.46 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide is sourced from PubChem (CID 86925824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).