3-(1,3-dioxoisoindol-2-yl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide

C22H19N3O4 — CID 110324668

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
SMILESCc1ccc2[nH]c(=O)c(CNC(=O)CCN3C(=O)c4ccccc4C3=O)cc2c1
InChIInChI=1S/C22H19N3O4/c1-13-6-7-18-14(10-13)11-15(20(27)24-18)12-23-19(26)8-9-25-21(28)16-4-2-3-5-17(16)22(25)29/h2-7,10-11H,8-9,12H2,1H3,(H,23,26)(H,24,27)
InChIKeySMNJAAMMFHACFS-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.14
Rot. Bonds5

About 3-(1,3-dioxoisoindol-2-yl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide

3-(1,3-dioxoisoindol-2-yl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide (PubChem CID 110324668) 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-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
PubChem CID110324668
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
SMILESCc1ccc2[nH]c(=O)c(CNC(=O)CCN3C(=O)c4ccccc4C3=O)cc2c1
InChIInChI=1S/C22H19N3O4/c1-13-6-7-18-14(10-13)11-15(20(27)24-18)12-23-19(26)8-9-25-21(28)16-4-2-3-5-17(16)22(25)29/h2-7,10-11H,8-9,12H2,1H3,(H,23,26)(H,24,27)
InChIKeySMNJAAMMFHACFS-UHFFFAOYSA-N
XLogP2.14
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110324410
4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-phenylpentanamide
CID 110414901
3-(3-fluorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110414954
N-[(2-fluorophenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30438801
N-[(2,4-dimethylphenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 46591341
4-(1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1H-indol-5-yl)methyl]butanamide
CID 110427774
N-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 32603613
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
CID 55907455
2-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110616680
3-(1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide
CID 110714611
3-(1,3-dioxoisoindol-2-yl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide
CID 110730354
N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 71684039

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide (CID 110324668) is 3-(1,3-dioxoisoindol-2-yl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide is Cc1ccc2[nH]c(=O)c(CNC(=O)CCN3C(=O)c4ccccc4C3=O)cc2c1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The InChIKey is SMNJAAMMFHACFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-13-6-7-18-14(10-13)11-15(20(27)24-18)12-23-19(26)8-9-25-21(28)16-4-2-3-5-17(16)22(25)29/h2-7,10-11H,8-9,12H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide has a molecular weight of 389.41 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide is sourced from PubChem (CID 110324668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).