1-(2-hydroxyethyl)-3-[(7-methylquinolin-8-yl)amino]pyrrole-2,5-dione

C16H15N3O3 — CID 168559140

IUPAC1-(2-hydroxyethyl)-3-[(7-methylquinolin-8-yl)amino]pyrrole-2,5-dione
SMILESCc1ccc2cccnc2c1NC1=CC(=O)N(CCO)C1=O
InChIInChI=1S/C16H15N3O3/c1-10-4-5-11-3-2-6-17-15(11)14(10)18-12-9-13(21)19(7-8-20)16(12)22/h2-6,9,18,20H,7-8H2,1H3
InChIKeyOJELIMJRVSYNOW-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.20
Rot. Bonds4

About 1-(2-hydroxyethyl)-3-[(7-methylquinolin-8-yl)amino]pyrrole-2,5-dione

1-(2-hydroxyethyl)-3-[(7-methylquinolin-8-yl)amino]pyrrole-2,5-dione (PubChem CID 168559140) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[(7-methylquinolin-8-yl)amino]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[(7-methylquinolin-8-yl)amino]pyrrole-2,5-dione
PubChem CID168559140
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name1-(2-hydroxyethyl)-3-[(7-methylquinolin-8-yl)amino]pyrrole-2,5-dione
SMILESCc1ccc2cccnc2c1NC1=CC(=O)N(CCO)C1=O
InChIInChI=1S/C16H15N3O3/c1-10-4-5-11-3-2-6-17-15(11)14(10)18-12-9-13(21)19(7-8-20)16(12)22/h2-6,9,18,20H,7-8H2,1H3
InChIKeyOJELIMJRVSYNOW-UHFFFAOYSA-N
XLogP1.20
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(8-ethoxyquinolin-5-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168558560
6-chloro-2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-3-methylbenzoic acid
CID 168560083
1-(2-hydroxyethyl)-3-[(4-methylnaphthalen-1-yl)amino]pyrrole-2,5-dione
CID 168557289
1-(2-hydroxyethyl)-3-[4-(4-methylphenyl)anilino]pyrrole-2,5-dione
CID 168559346
1-(2-hydroxyethyl)-3-[(2-methylbenzotriazol-4-yl)amino]pyrrole-2,5-dione
CID 168556105
1-(2-hydroxyethyl)-3-[2-(2-pyridin-2-ylethyl)anilino]pyrrole-2,5-dione
CID 168556445
1-(2-hydroxyethyl)-3-(methylamino)pyrrole-2,5-dione
CID 4512557
1-(2-hydroxyethyl)-3-(2,4,6-trichloroanilino)pyrrole-2,5-dione
CID 168555975
3-[2-(4,5-dimethyl-1,3-oxazol-2-yl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168558491
1-(2-hydroxyethyl)-3-(2-methyl-5-propan-2-yloxyanilino)pyrrole-2,5-dione
CID 168557285
1-(2-hydroxyethyl)-3-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]anilino]pyrrole-2,5-dione
CID 168559429
3-(2,6-dibromo-4-ethylanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168556527

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[(7-methylquinolin-8-yl)amino]pyrrole-2,5-dione?
The IUPAC name of 1-(2-hydroxyethyl)-3-[(7-methylquinolin-8-yl)amino]pyrrole-2,5-dione (CID 168559140) is 1-(2-hydroxyethyl)-3-[(7-methylquinolin-8-yl)amino]pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[(7-methylquinolin-8-yl)amino]pyrrole-2,5-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[(7-methylquinolin-8-yl)amino]pyrrole-2,5-dione is Cc1ccc2cccnc2c1NC1=CC(=O)N(CCO)C1=O.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[(7-methylquinolin-8-yl)amino]pyrrole-2,5-dione?
The InChIKey is OJELIMJRVSYNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-10-4-5-11-3-2-6-17-15(11)14(10)18-12-9-13(21)19(7-8-20)16(12)22/h2-6,9,18,20H,7-8H2,1H3.
What are the key properties of 1-(2-hydroxyethyl)-3-[(7-methylquinolin-8-yl)amino]pyrrole-2,5-dione?
1-(2-hydroxyethyl)-3-[(7-methylquinolin-8-yl)amino]pyrrole-2,5-dione has a molecular weight of 297.31 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[(7-methylquinolin-8-yl)amino]pyrrole-2,5-dione is sourced from PubChem (CID 168559140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).