N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-3,4-dihydro-2H-quinoline-1-carboxamide

C22H23N3O4 — CID 108873569

IUPACN-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCOCCCN1C(=O)c2ccc(NC(=O)N3CCCc4ccccc43)cc2C1=O
InChIInChI=1S/C22H23N3O4/c1-29-13-5-12-25-20(26)17-10-9-16(14-18(17)21(25)27)23-22(28)24-11-4-7-15-6-2-3-8-19(15)24/h2-3,6,8-10,14H,4-5,7,11-13H2,1H3,(H,23,28)
InChIKeyYDCBQJYTLGZHIT-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.30
Rot. Bonds5

About N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-3,4-dihydro-2H-quinoline-1-carboxamide

N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 108873569) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID108873569
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCOCCCN1C(=O)c2ccc(NC(=O)N3CCCc4ccccc43)cc2C1=O
InChIInChI=1S/C22H23N3O4/c1-29-13-5-12-25-20(26)17-10-9-16(14-18(17)21(25)27)23-22(28)24-11-4-7-15-6-2-3-8-19(15)24/h2-3,6,8-10,14H,4-5,7,11-13H2,1H3,(H,23,28)
InChIKeyYDCBQJYTLGZHIT-UHFFFAOYSA-N
XLogP3.30
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]pyrrolidine-1-carboxamide
CID 108873670
N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108873784
N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]azepane-1-carboxamide
CID 108873671
N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2,6-dimethylpiperidine-1-carboxamide
CID 108873703
1-N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]piperidine-1,4-dicarboxamide
CID 108873799
1-(2-methoxyphenyl)-3-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108873532
5-bromo-2-[4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 30425885
1-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108873546
N-(5-benzyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 20887944
1-(2-cyanophenyl)-3-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108873547
N-(3-hydroxy-4-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69224339
2-[[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]carbamoylamino]propanoic acid
CID 108873596

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-3,4-dihydro-2H-quinoline-1-carboxamide (CID 108873569) is N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-3,4-dihydro-2H-quinoline-1-carboxamide is COCCCN1C(=O)c2ccc(NC(=O)N3CCCc4ccccc43)cc2C1=O.
What is the InChIKey of N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is YDCBQJYTLGZHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-29-13-5-12-25-20(26)17-10-9-16(14-18(17)21(25)27)23-22(28)24-11-4-7-15-6-2-3-8-19(15)24/h2-3,6,8-10,14H,4-5,7,11-13H2,1H3,(H,23,28).
What are the key properties of N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-3,4-dihydro-2H-quinoline-1-carboxamide?
N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 108873569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).