3-(1,3-dioxoisoindol-2-yl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide

C22H19N3O4 — CID 110324410

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
SMILESCc1cccc2cc(CNC(=O)CCN3C(=O)c4ccccc4C3=O)c(=O)[nH]c12
InChIInChI=1S/C22H19N3O4/c1-13-5-4-6-14-11-15(20(27)24-19(13)14)12-23-18(26)9-10-25-21(28)16-7-2-3-8-17(16)22(25)29/h2-8,11H,9-10,12H2,1H3,(H,23,26)(H,24,27)
InChIKeyKNRZIGJUQMOXJC-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.14
Rot. Bonds5

About 3-(1,3-dioxoisoindol-2-yl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide

3-(1,3-dioxoisoindol-2-yl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide (PubChem CID 110324410) 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-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
PubChem CID110324410
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
SMILESCc1cccc2cc(CNC(=O)CCN3C(=O)c4ccccc4C3=O)c(=O)[nH]c12
InChIInChI=1S/C22H19N3O4/c1-13-5-4-6-14-11-15(20(27)24-19(13)14)12-23-18(26)9-10-25-21(28)16-7-2-3-8-17(16)22(25)29/h2-8,11H,9-10,12H2,1H3,(H,23,26)(H,24,27)
InChIKeyKNRZIGJUQMOXJC-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-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110324668
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide
CID 110324363
N-[(2-fluorophenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331083
N-[(2-methoxyphenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331087
3-(ethylaminomethyl)-8-methyl-1H-quinolin-2-one
CID 23009276
8-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 23009265
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
CID 110324370
8-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
CID 110331072
8-methyl-3-[[2-(2-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one
CID 3176401
3-(1,3-dioxoisoindol-2-yl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide
CID 110730354
1-(4-chlorophenyl)-3-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110324407
3-(4-methoxyphenyl)-N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110325780

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide (CID 110324410) is 3-(1,3-dioxoisoindol-2-yl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide is Cc1cccc2cc(CNC(=O)CCN3C(=O)c4ccccc4C3=O)c(=O)[nH]c12.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The InChIKey is KNRZIGJUQMOXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-13-5-4-6-14-11-15(20(27)24-19(13)14)12-23-18(26)9-10-25-21(28)16-7-2-3-8-17(16)22(25)29/h2-8,11H,9-10,12H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-[(8-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-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide is sourced from PubChem (CID 110324410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).