(2S)-2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylpentanamide

C22H19N3O3 — CID 102253770

IUPAC(2S)-2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylpentanamide
SMILESCCC[C@@H](C(=O)Nc1cccc2cccnc12)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H19N3O3/c1-2-7-18(25-21(27)15-10-3-4-11-16(15)22(25)28)20(26)24-17-12-5-8-14-9-6-13-23-19(14)17/h3-6,8-13,18H,2,7H2,1H3,(H,24,26)/t18-/m0/s1
InChIKeyLOVRTCNNZNCKKQ-SFHVURJKSA-N
MW373.41 g/mol
LogP3.64
Rot. Bonds5

About (2S)-2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylpentanamide

(2S)-2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylpentanamide (PubChem CID 102253770) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is (2S)-2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylpentanamide.

Molecular Properties

Compound Name(2S)-2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylpentanamide
PubChem CID102253770
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name(2S)-2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylpentanamide
SMILESCCC[C@@H](C(=O)Nc1cccc2cccnc12)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H19N3O3/c1-2-7-18(25-21(27)15-10-3-4-11-16(15)22(25)28)20(26)24-17-12-5-8-14-9-6-13-23-19(14)17/h3-6,8-13,18H,2,7H2,1H3,(H,24,26)/t18-/m0/s1
InChIKeyLOVRTCNNZNCKKQ-SFHVURJKSA-N
XLogP3.64
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfinyl-N-quinolin-8-ylbutanamide
CID 134160206
(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylbutanamide
CID 134160194
(2S,3S)-2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-quinolin-8-ylpentanamide
CID 11846431
[(2S,3R)-2-(1,3-dioxoisoindol-2-yl)-1-oxo-1-(quinolin-8-ylamino)pentan-3-yl] acetate
CID 135007607
[(2S,3S)-2-(1,3-dioxoisoindol-2-yl)-1-oxo-1-(quinolin-8-ylamino)pentan-3-yl] acetate
CID 102253774
(2R)-2-amino-N-quinolin-8-ylpentanamide
CID 103813268
(2R)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-4-methylsulfanyl-N-quinolin-8-ylbutanamide
CID 124772166
2-ethyl-N-quinolin-8-ylundecanamide
CID 72712401
1-propyl-3-quinolin-8-ylurea
CID 13078451
1-(2-hydroxypropyl)-3-quinolin-8-ylurea
CID 47032842
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-naphthalen-1-yl-3-phenylpropanamide
CID 1342808
2-methyl-5-phenyl-N-quinolin-8-ylpentanamide
CID 175900489

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylpentanamide?
The IUPAC name of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylpentanamide (CID 102253770) is (2S)-2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylpentanamide.
What is the SMILES notation for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylpentanamide?
The canonical SMILES for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylpentanamide is CCC[C@@H](C(=O)Nc1cccc2cccnc12)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylpentanamide?
The InChIKey is LOVRTCNNZNCKKQ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-2-7-18(25-21(27)15-10-3-4-11-16(15)22(25)28)20(26)24-17-12-5-8-14-9-6-13-23-19(14)17/h3-6,8-13,18H,2,7H2,1H3,(H,24,26)/t18-/m0/s1.
What are the key properties of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylpentanamide?
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylpentanamide has a molecular weight of 373.41 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylpentanamide is sourced from PubChem (CID 102253770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).