N-(3-oxo-2-quinolin-6-yl-1H-isoindol-5-yl)propanamide

C20H17N3O2 — CID 66562703

IUPACN-(3-oxo-2-quinolin-6-yl-1H-isoindol-5-yl)propanamide
SMILESCCC(=O)Nc1ccc2c(c1)C(=O)N(c1ccc3ncccc3c1)C2
InChIInChI=1S/C20H17N3O2/c1-2-19(24)22-15-6-5-14-12-23(20(25)17(14)11-15)16-7-8-18-13(10-16)4-3-9-21-18/h3-11H,2,12H2,1H3,(H,22,24)
InChIKeyJOKYTNXUMKNAGU-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.74
Rot. Bonds3

About N-(3-oxo-2-quinolin-6-yl-1H-isoindol-5-yl)propanamide

N-(3-oxo-2-quinolin-6-yl-1H-isoindol-5-yl)propanamide (PubChem CID 66562703) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(3-oxo-2-quinolin-6-yl-1H-isoindol-5-yl)propanamide.

Molecular Properties

Compound NameN-(3-oxo-2-quinolin-6-yl-1H-isoindol-5-yl)propanamide
PubChem CID66562703
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC NameN-(3-oxo-2-quinolin-6-yl-1H-isoindol-5-yl)propanamide
SMILESCCC(=O)Nc1ccc2c(c1)C(=O)N(c1ccc3ncccc3c1)C2
InChIInChI=1S/C20H17N3O2/c1-2-19(24)22-15-6-5-14-12-23(20(25)17(14)11-15)16-7-8-18-13(10-16)4-3-9-21-18/h3-11H,2,12H2,1H3,(H,22,24)
InChIKeyJOKYTNXUMKNAGU-UHFFFAOYSA-N
XLogP3.74
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-2-quinolin-6-yl-1H-isoindol-5-yl)propanamide?
The IUPAC name of N-(3-oxo-2-quinolin-6-yl-1H-isoindol-5-yl)propanamide (CID 66562703) is N-(3-oxo-2-quinolin-6-yl-1H-isoindol-5-yl)propanamide.
What is the SMILES notation for N-(3-oxo-2-quinolin-6-yl-1H-isoindol-5-yl)propanamide?
The canonical SMILES for N-(3-oxo-2-quinolin-6-yl-1H-isoindol-5-yl)propanamide is CCC(=O)Nc1ccc2c(c1)C(=O)N(c1ccc3ncccc3c1)C2.
What is the InChIKey of N-(3-oxo-2-quinolin-6-yl-1H-isoindol-5-yl)propanamide?
The InChIKey is JOKYTNXUMKNAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-2-19(24)22-15-6-5-14-12-23(20(25)17(14)11-15)16-7-8-18-13(10-16)4-3-9-21-18/h3-11H,2,12H2,1H3,(H,22,24).
What are the key properties of N-(3-oxo-2-quinolin-6-yl-1H-isoindol-5-yl)propanamide?
N-(3-oxo-2-quinolin-6-yl-1H-isoindol-5-yl)propanamide has a molecular weight of 331.38 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-2-quinolin-6-yl-1H-isoindol-5-yl)propanamide is sourced from PubChem (CID 66562703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).