N-(6-chloroquinolin-8-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide

C16H14ClN3O3 — CID 24673464

IUPACN-(6-chloroquinolin-8-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)Nc1cc(Cl)cc2cccnc12
InChIInChI=1S/C16H14ClN3O3/c17-11-8-10-2-1-6-18-16(10)12(9-11)19-13(21)5-7-20-14(22)3-4-15(20)23/h1-2,6,8-9H,3-5,7H2,(H,19,21)
InChIKeyQORFBOJQWIJLID-UHFFFAOYSA-N
MW331.76 g/mol
LogP2.37
Rot. Bonds4

About N-(6-chloroquinolin-8-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide

N-(6-chloroquinolin-8-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 24673464) has the molecular formula C16H14ClN3O3 and a molecular weight of 331.76 g/mol. Its IUPAC name is N-(6-chloroquinolin-8-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(6-chloroquinolin-8-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID24673464
Molecular FormulaC16H14ClN3O3
Molecular Weight331.76 g/mol
Exact Mass331.07
IUPAC NameN-(6-chloroquinolin-8-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)Nc1cc(Cl)cc2cccnc12
InChIInChI=1S/C16H14ClN3O3/c17-11-8-10-2-1-6-18-16(10)12(9-11)19-13(21)5-7-20-14(22)3-4-15(20)23/h1-2,6,8-9H,3-5,7H2,(H,19,21)
InChIKeyQORFBOJQWIJLID-UHFFFAOYSA-N
XLogP2.37
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 52.37
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

N-(6-chloroquinolin-8-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 24673492
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CID 79199292
N-(6-chloroquinolin-8-yl)-3-(4-nitroimidazol-1-yl)propanamide
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N-(6-chloroquinolin-8-yl)-2-(cyclopropylamino)acetamide
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N-(6-chloroquinolin-8-yl)-2-(prop-2-ynylamino)acetamide
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2-(1-aminocyclopentyl)-N-(6-chloroquinolin-8-yl)acetamide
CID 64685201
N-(6-chloroquinolin-8-yl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 24673455
2-chloro-N-(6-chloroquinolin-8-yl)propanamide
CID 43696479
N-(6-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxamide
CID 78981565
N-(2,5-dichlorophenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 17034956
1-(aminomethyl)-N-(6-chloroquinolin-8-yl)cyclopentane-1-carboxamide
CID 115434790
3-amino-N-(6-chloroquinolin-8-yl)pyridine-2-carboxamide
CID 104741160

Frequently Asked Questions

What is the IUPAC name of N-(6-chloroquinolin-8-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-(6-chloroquinolin-8-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide (CID 24673464) is N-(6-chloroquinolin-8-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(6-chloroquinolin-8-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(6-chloroquinolin-8-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide is O=C(CCN1C(=O)CCC1=O)Nc1cc(Cl)cc2cccnc12.
What is the InChIKey of N-(6-chloroquinolin-8-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is QORFBOJQWIJLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3/c17-11-8-10-2-1-6-18-16(10)12(9-11)19-13(21)5-7-20-14(22)3-4-15(20)23/h1-2,6,8-9H,3-5,7H2,(H,19,21).
What are the key properties of N-(6-chloroquinolin-8-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
N-(6-chloroquinolin-8-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 331.76 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloroquinolin-8-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 24673464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).