1-(quinolin-8-ylmethyl)pyrrole-2,5-dione

C14H10N2O2 — CID 81428770

IUPAC1-(quinolin-8-ylmethyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1Cc1cccc2cccnc12
InChIInChI=1S/C14H10N2O2/c17-12-6-7-13(18)16(12)9-11-4-1-3-10-5-2-8-15-14(10)11/h1-8H,9H2
InChIKeyCVYCIOTVBNJRLP-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.66
Rot. Bonds2

About 1-(quinolin-8-ylmethyl)pyrrole-2,5-dione

1-(quinolin-8-ylmethyl)pyrrole-2,5-dione (PubChem CID 81428770) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-(quinolin-8-ylmethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(quinolin-8-ylmethyl)pyrrole-2,5-dione
PubChem CID81428770
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name1-(quinolin-8-ylmethyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1Cc1cccc2cccnc12
InChIInChI=1S/C14H10N2O2/c17-12-6-7-13(18)16(12)9-11-4-1-3-10-5-2-8-15-14(10)11/h1-8H,9H2
InChIKeyCVYCIOTVBNJRLP-UHFFFAOYSA-N
XLogP1.66
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(quinolin-8-ylmethyl)indole-2,3-dione
CID 3008305
3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17450906
1-(2-methylpropyl)-3-(quinolin-8-ylmethyl)imidazolidine-2,4,5-trione
CID 17492243
8-[(2,5-dimethylpyrrol-1-yl)methyl]quinoline
CID 81423655
3-(aminomethyl)-1-(quinolin-8-ylmethyl)pyridin-2-one
CID 107017504
1-methyl-3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 33097424
6-chloro-3-(quinolin-8-ylmethyl)pyrimidin-4-one
CID 114582096
1-(quinolin-8-ylmethyl)-1,2,4-triazol-3-amine
CID 54929663
N-(quinolin-8-ylmethyl)aniline
CID 28610045
1-(quinolin-8-ylmethyl)pyrrole-2-carbaldehyde
CID 66410307
quinolin-8-ylmethanamine;hydrochloride
CID 50988699
aluminum quinolin-8-ylmethanol
CID 23124809

Frequently Asked Questions

What is the IUPAC name of 1-(quinolin-8-ylmethyl)pyrrole-2,5-dione?
The IUPAC name of 1-(quinolin-8-ylmethyl)pyrrole-2,5-dione (CID 81428770) is 1-(quinolin-8-ylmethyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(quinolin-8-ylmethyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(quinolin-8-ylmethyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1Cc1cccc2cccnc12.
What is the InChIKey of 1-(quinolin-8-ylmethyl)pyrrole-2,5-dione?
The InChIKey is CVYCIOTVBNJRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-12-6-7-13(18)16(12)9-11-4-1-3-10-5-2-8-15-14(10)11/h1-8H,9H2.
What are the key properties of 1-(quinolin-8-ylmethyl)pyrrole-2,5-dione?
1-(quinolin-8-ylmethyl)pyrrole-2,5-dione has a molecular weight of 238.25 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinolin-8-ylmethyl)pyrrole-2,5-dione is sourced from PubChem (CID 81428770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).