N-(6-chloroquinolin-8-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide

C21H16ClN3O2 — CID 24673492

IUPACN-(6-chloroquinolin-8-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
SMILESC=C1c2ccccc2C(=O)N1CCC(=O)Nc1cc(Cl)cc2cccnc12
InChIInChI=1S/C21H16ClN3O2/c1-13-16-6-2-3-7-17(16)21(27)25(13)10-8-19(26)24-18-12-15(22)11-14-5-4-9-23-20(14)18/h2-7,9,11-12H,1,8,10H2,(H,24,26)
InChIKeyXHNMOYCCFXQKFW-UHFFFAOYSA-N
MW377.83 g/mol
LogP4.34
Rot. Bonds4

About N-(6-chloroquinolin-8-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide

N-(6-chloroquinolin-8-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide (PubChem CID 24673492) has the molecular formula C21H16ClN3O2 and a molecular weight of 377.83 g/mol. Its IUPAC name is N-(6-chloroquinolin-8-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(6-chloroquinolin-8-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
PubChem CID24673492
Molecular FormulaC21H16ClN3O2
Molecular Weight377.83 g/mol
Exact Mass377.09
IUPAC NameN-(6-chloroquinolin-8-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
SMILESC=C1c2ccccc2C(=O)N1CCC(=O)Nc1cc(Cl)cc2cccnc12
InChIInChI=1S/C21H16ClN3O2/c1-13-16-6-2-3-7-17(16)21(27)25(13)10-8-19(26)24-18-12-15(22)11-14-5-4-9-23-20(14)18/h2-7,9,11-12H,1,8,10H2,(H,24,26)
InChIKeyXHNMOYCCFXQKFW-UHFFFAOYSA-N
XLogP4.34
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-chloroquinolin-8-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 24673464
N-(6-chloroquinolin-8-yl)-5-hydroxypentanamide
CID 79199292
3-(1-methylidene-3-oxoisoindol-2-yl)-N-naphthalen-2-ylpropanamide
CID 16590437
N-(5-chloro-2-morpholin-4-ylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 16594348
N-(5-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 2664572
N-(2,3-dimethylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 17435886
N-(6-chloroquinolin-8-yl)-2-(prop-2-ynylamino)acetamide
CID 79286732
N-(2,4-dimethoxyphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 16591872
N-(2-amino-4-chlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 28867517
N-(4-methyl-1,3-benzothiazol-2-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 18135694
N-(6-chloroquinolin-8-yl)-2-(cyclopropylamino)acetamide
CID 60842689
N-(3-chloro-4-methoxyphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 16591915

Frequently Asked Questions

What is the IUPAC name of N-(6-chloroquinolin-8-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The IUPAC name of N-(6-chloroquinolin-8-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide (CID 24673492) is N-(6-chloroquinolin-8-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(6-chloroquinolin-8-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(6-chloroquinolin-8-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide is C=C1c2ccccc2C(=O)N1CCC(=O)Nc1cc(Cl)cc2cccnc12.
What is the InChIKey of N-(6-chloroquinolin-8-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The InChIKey is XHNMOYCCFXQKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O2/c1-13-16-6-2-3-7-17(16)21(27)25(13)10-8-19(26)24-18-12-15(22)11-14-5-4-9-23-20(14)18/h2-7,9,11-12H,1,8,10H2,(H,24,26).
What are the key properties of N-(6-chloroquinolin-8-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
N-(6-chloroquinolin-8-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide has a molecular weight of 377.83 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloroquinolin-8-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide is sourced from PubChem (CID 24673492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).