3-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-2-methylquinolin-4-yl)propanamide

C21H16FN3O3 — CID 39850954

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-2-methylquinolin-4-yl)propanamide
SMILESCc1cc(NC(=O)CCN2C(=O)c3ccccc3C2=O)c2cc(F)ccc2n1
InChIInChI=1S/C21H16FN3O3/c1-12-10-18(16-11-13(22)6-7-17(16)23-12)24-19(26)8-9-25-20(27)14-4-2-3-5-15(14)21(25)28/h2-7,10-11H,8-9H2,1H3,(H,23,24,26)
InChIKeyRYPQXWIUNCLUJF-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.31
Rot. Bonds4

About 3-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-2-methylquinolin-4-yl)propanamide

3-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-2-methylquinolin-4-yl)propanamide (PubChem CID 39850954) has the molecular formula C21H16FN3O3 and a molecular weight of 377.38 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-2-methylquinolin-4-yl)propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-2-methylquinolin-4-yl)propanamide
PubChem CID39850954
Molecular FormulaC21H16FN3O3
Molecular Weight377.38 g/mol
Exact Mass377.12
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-2-methylquinolin-4-yl)propanamide
SMILESCc1cc(NC(=O)CCN2C(=O)c3ccccc3C2=O)c2cc(F)ccc2n1
InChIInChI=1S/C21H16FN3O3/c1-12-10-18(16-11-13(22)6-7-17(16)23-12)24-19(26)8-9-25-20(27)14-4-2-3-5-15(14)21(25)28/h2-7,10-11H,8-9H2,1H3,(H,23,24,26)
InChIKeyRYPQXWIUNCLUJF-UHFFFAOYSA-N
XLogP3.31
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.31
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

3-(1,3-dioxoisoindol-2-yl)-N-(8-methoxy-2-methylquinolin-4-yl)propanamide
CID 39849507
N-(5-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 2664572
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 108764948
3-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]-4-methylbenzoic acid
CID 1250549
N-(6-fluoro-2-methylquinolin-4-yl)-2-methylpropanamide
CID 39850982
3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane
CID 90892974
N-(2-chloro-4-fluorophenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30431439
3-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide
CID 4625308
N-(3-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 9146166
N-(4,5-dimethylthiophen-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 110660112
3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 55722660
2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]-4-nitrophenolate
CID 7375552

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-2-methylquinolin-4-yl)propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-2-methylquinolin-4-yl)propanamide (CID 39850954) is 3-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-2-methylquinolin-4-yl)propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-2-methylquinolin-4-yl)propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-2-methylquinolin-4-yl)propanamide is Cc1cc(NC(=O)CCN2C(=O)c3ccccc3C2=O)c2cc(F)ccc2n1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-2-methylquinolin-4-yl)propanamide?
The InChIKey is RYPQXWIUNCLUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3/c1-12-10-18(16-11-13(22)6-7-17(16)23-12)24-19(26)8-9-25-20(27)14-4-2-3-5-15(14)21(25)28/h2-7,10-11H,8-9H2,1H3,(H,23,24,26).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-2-methylquinolin-4-yl)propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-2-methylquinolin-4-yl)propanamide has a molecular weight of 377.38 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 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-fluoro-2-methylquinolin-4-yl)propanamide is sourced from PubChem (CID 39850954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).