N-(3-oxo-2-phenyl-4,4a,5,6-tetrahydrobenzo[h]cinnolin-9-yl)acetamide

C20H19N3O2 — CID 70415987

IUPACN-(3-oxo-2-phenyl-4,4a,5,6-tetrahydrobenzo[h]cinnolin-9-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)C1=NN(c3ccccc3)C(=O)CC1CC2
InChIInChI=1S/C20H19N3O2/c1-13(24)21-16-10-9-14-7-8-15-11-19(25)23(17-5-3-2-4-6-17)22-20(15)18(14)12-16/h2-6,9-10,12,15H,7-8,11H2,1H3,(H,21,24)
InChIKeyMAONMEDZFWGEMQ-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.35
Rot. Bonds2

About N-(3-oxo-2-phenyl-4,4a,5,6-tetrahydrobenzo[h]cinnolin-9-yl)acetamide

N-(3-oxo-2-phenyl-4,4a,5,6-tetrahydrobenzo[h]cinnolin-9-yl)acetamide (PubChem CID 70415987) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(3-oxo-2-phenyl-4,4a,5,6-tetrahydrobenzo[h]cinnolin-9-yl)acetamide.

Molecular Properties

Compound NameN-(3-oxo-2-phenyl-4,4a,5,6-tetrahydrobenzo[h]cinnolin-9-yl)acetamide
PubChem CID70415987
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-(3-oxo-2-phenyl-4,4a,5,6-tetrahydrobenzo[h]cinnolin-9-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)C1=NN(c3ccccc3)C(=O)CC1CC2
InChIInChI=1S/C20H19N3O2/c1-13(24)21-16-10-9-14-7-8-15-11-19(25)23(17-5-3-2-4-6-17)22-20(15)18(14)12-16/h2-6,9-10,12,15H,7-8,11H2,1H3,(H,21,24)
InChIKeyMAONMEDZFWGEMQ-UHFFFAOYSA-N
XLogP3.35
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-but-2-enedioic acid;9-fluoro-2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3-one
CID 67887819
(E)-but-2-enedioic acid;2-[4-[1-(dimethylamino)propan-2-yloxy]phenyl]-9-fluoro-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3-one;hydrate
CID 67887883
9-[2-(dimethylamino)propoxy]-2-(4-methylphenyl)-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3-one
CID 19825063
N-(2-oxo-5,6-dihydro-3H-benzo[f]cinnolin-9-yl)acetamide
CID 10244077
N-[(4R)-4-chloro-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide
CID 98157977
3-methyl-5-oxo-N-(3-oxo-1H-2-benzofuran-5-yl)-1-phenyl-4H-pyrazole-4-carboxamide
CID 139433237
2-[2-(4-methylphenyl)-3-oxo-4,4a,5,6-tetrahydrothieno[2,3-h]cinnolin-8-yl]ethyl acetate
CID 23353989
[2-[2-(4-methylphenyl)-3-oxo-4,4a,5,6-tetrahydrothieno[2,3-h]cinnolin-8-yl]-2-oxoethyl] acetate
CID 23353990
N-[7-[methyl(2-phenylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide
CID 54040083
N-[3-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide
CID 820347
aniline;N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide
CID 159636176
N-[4-[[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methylideneamino]phenyl]acetamide
CID 27869886

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-2-phenyl-4,4a,5,6-tetrahydrobenzo[h]cinnolin-9-yl)acetamide?
The IUPAC name of N-(3-oxo-2-phenyl-4,4a,5,6-tetrahydrobenzo[h]cinnolin-9-yl)acetamide (CID 70415987) is N-(3-oxo-2-phenyl-4,4a,5,6-tetrahydrobenzo[h]cinnolin-9-yl)acetamide.
What is the SMILES notation for N-(3-oxo-2-phenyl-4,4a,5,6-tetrahydrobenzo[h]cinnolin-9-yl)acetamide?
The canonical SMILES for N-(3-oxo-2-phenyl-4,4a,5,6-tetrahydrobenzo[h]cinnolin-9-yl)acetamide is CC(=O)Nc1ccc2c(c1)C1=NN(c3ccccc3)C(=O)CC1CC2.
What is the InChIKey of N-(3-oxo-2-phenyl-4,4a,5,6-tetrahydrobenzo[h]cinnolin-9-yl)acetamide?
The InChIKey is MAONMEDZFWGEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-13(24)21-16-10-9-14-7-8-15-11-19(25)23(17-5-3-2-4-6-17)22-20(15)18(14)12-16/h2-6,9-10,12,15H,7-8,11H2,1H3,(H,21,24).
What are the key properties of N-(3-oxo-2-phenyl-4,4a,5,6-tetrahydrobenzo[h]cinnolin-9-yl)acetamide?
N-(3-oxo-2-phenyl-4,4a,5,6-tetrahydrobenzo[h]cinnolin-9-yl)acetamide has a molecular weight of 333.39 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-2-phenyl-4,4a,5,6-tetrahydrobenzo[h]cinnolin-9-yl)acetamide is sourced from PubChem (CID 70415987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).