3-(1,3-dioxoisoindol-2-yl)-N-(8-methoxy-2-methylquinolin-4-yl)propanamide

C22H19N3O4 — CID 39849507

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-(8-methoxy-2-methylquinolin-4-yl)propanamide
SMILESCOc1cccc2c(NC(=O)CCN3C(=O)c4ccccc4C3=O)cc(C)nc12
InChIInChI=1S/C22H19N3O4/c1-13-12-17(16-8-5-9-18(29-2)20(16)23-13)24-19(26)10-11-25-21(27)14-6-3-4-7-15(14)22(25)28/h3-9,12H,10-11H2,1-2H3,(H,23,24,26)
InChIKeyLGOICVXSPJXUEN-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.18
Rot. Bonds5

About 3-(1,3-dioxoisoindol-2-yl)-N-(8-methoxy-2-methylquinolin-4-yl)propanamide

3-(1,3-dioxoisoindol-2-yl)-N-(8-methoxy-2-methylquinolin-4-yl)propanamide (PubChem CID 39849507) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-(8-methoxy-2-methylquinolin-4-yl)propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-(8-methoxy-2-methylquinolin-4-yl)propanamide
PubChem CID39849507
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-(8-methoxy-2-methylquinolin-4-yl)propanamide
SMILESCOc1cccc2c(NC(=O)CCN3C(=O)c4ccccc4C3=O)cc(C)nc12
InChIInChI=1S/C22H19N3O4/c1-13-12-17(16-8-5-9-18(29-2)20(16)23-13)24-19(26)10-11-25-21(27)14-6-3-4-7-15(14)22(25)28/h3-9,12H,10-11H2,1-2H3,(H,23,24,26)
InChIKeyLGOICVXSPJXUEN-UHFFFAOYSA-N
XLogP3.18
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-2-methylquinolin-4-yl)propanamide
CID 39850954
3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxy-3-methylphenyl)propanamide
CID 110776420
N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 108769565
N-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]-2,6-dimethoxybenzamide
CID 108538742
6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxynaphthalen-1-yl)hexanamide
CID 4090192
N-(2-methoxy-5-methylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30430739
N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 19603314
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 108764948
3-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]-4-methylbenzoic acid
CID 1250549
N-(2,4-dimethoxyphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 16591872
8-fluoro-N-(8-methoxy-2-methylquinolin-4-yl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 43831714
3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 113202209

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(8-methoxy-2-methylquinolin-4-yl)propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(8-methoxy-2-methylquinolin-4-yl)propanamide (CID 39849507) is 3-(1,3-dioxoisoindol-2-yl)-N-(8-methoxy-2-methylquinolin-4-yl)propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-(8-methoxy-2-methylquinolin-4-yl)propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-(8-methoxy-2-methylquinolin-4-yl)propanamide is COc1cccc2c(NC(=O)CCN3C(=O)c4ccccc4C3=O)cc(C)nc12.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-(8-methoxy-2-methylquinolin-4-yl)propanamide?
The InChIKey is LGOICVXSPJXUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-13-12-17(16-8-5-9-18(29-2)20(16)23-13)24-19(26)10-11-25-21(27)14-6-3-4-7-15(14)22(25)28/h3-9,12H,10-11H2,1-2H3,(H,23,24,26).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-(8-methoxy-2-methylquinolin-4-yl)propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-(8-methoxy-2-methylquinolin-4-yl)propanamide has a molecular weight of 389.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-(8-methoxy-2-methylquinolin-4-yl)propanamide is sourced from PubChem (CID 39849507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).