(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methylbenzo[h]quinolin-4-yl)propanamide

C25H19N3O3 — CID 51975698

IUPAC(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methylbenzo[h]quinolin-4-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c2ccc3ccccc3c2n1
InChIInChI=1S/C25H19N3O3/c1-14-13-21(20-12-11-16-7-3-4-8-17(16)22(20)26-14)27-23(29)15(2)28-24(30)18-9-5-6-10-19(18)25(28)31/h3-13,15H,1-2H3,(H,26,27,29)/t15-/m1/s1
InChIKeyCCXJVJOOFXTSGY-OAHLLOKOSA-N
MW409.45 g/mol
LogP4.32
Rot. Bonds3

About (2R)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methylbenzo[h]quinolin-4-yl)propanamide

(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methylbenzo[h]quinolin-4-yl)propanamide (PubChem CID 51975698) has the molecular formula C25H19N3O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is (2R)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methylbenzo[h]quinolin-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methylbenzo[h]quinolin-4-yl)propanamide
PubChem CID51975698
Molecular FormulaC25H19N3O3
Molecular Weight409.45 g/mol
Exact Mass409.14
IUPAC Name(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methylbenzo[h]quinolin-4-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c2ccc3ccccc3c2n1
InChIInChI=1S/C25H19N3O3/c1-14-13-21(20-12-11-16-7-3-4-8-17(16)22(20)26-14)27-23(29)15(2)28-24(30)18-9-5-6-10-19(18)25(28)31/h3-13,15H,1-2H3,(H,26,27,29)/t15-/m1/s1
InChIKeyCCXJVJOOFXTSGY-OAHLLOKOSA-N
XLogP4.32
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(1,3-dioxoisoindol-2-yl)-N-naphthalen-1-ylpropanamide
CID 738623
(2S)-N-(5-chloro-2-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 7728470
2-(1,3-dioxoisoindol-2-yl)-N-(2-naphthalen-1-ylethyl)propanamide
CID 2920554
2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-nitrophenyl)propanamide
CID 2939389
2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 46797593
N-(2-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 3109173
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylphenyl)propanamide
CID 16546107
(2R)-N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 92717081
4-(dimethylamino)-N-(2-methylbenzo[h]quinolin-4-yl)benzamide
CID 46308049
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136
N-(2-butan-2-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 78699303
N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 2916493

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methylbenzo[h]quinolin-4-yl)propanamide?
The IUPAC name of (2R)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methylbenzo[h]quinolin-4-yl)propanamide (CID 51975698) is (2R)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methylbenzo[h]quinolin-4-yl)propanamide.
What is the SMILES notation for (2R)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methylbenzo[h]quinolin-4-yl)propanamide?
The canonical SMILES for (2R)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methylbenzo[h]quinolin-4-yl)propanamide is Cc1cc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c2ccc3ccccc3c2n1.
What is the InChIKey of (2R)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methylbenzo[h]quinolin-4-yl)propanamide?
The InChIKey is CCXJVJOOFXTSGY-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H19N3O3/c1-14-13-21(20-12-11-16-7-3-4-8-17(16)22(20)26-14)27-23(29)15(2)28-24(30)18-9-5-6-10-19(18)25(28)31/h3-13,15H,1-2H3,(H,26,27,29)/t15-/m1/s1.
What are the key properties of (2R)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methylbenzo[h]quinolin-4-yl)propanamide?
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methylbenzo[h]quinolin-4-yl)propanamide has a molecular weight of 409.45 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methylbenzo[h]quinolin-4-yl)propanamide is sourced from PubChem (CID 51975698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).