1-methylquinoline-2,5,8-trione

C10H7NO3 — CID 5325722

IUPAC1-methylquinoline-2,5,8-trione
SMILESCn1c2c(ccc1=O)C(=O)C=CC2=O
InChIInChI=1S/C10H7NO3/c1-11-9(14)5-2-6-7(12)3-4-8(13)10(6)11/h2-5H,1H3
InChIKeyLYMKIWPWDNSKFU-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.32
Rot. Bonds

About 1-methylquinoline-2,5,8-trione

1-methylquinoline-2,5,8-trione (PubChem CID 5325722) has the molecular formula C10H7NO3 and a molecular weight of 189.17 g/mol. Its IUPAC name is 1-methylquinoline-2,5,8-trione.

Molecular Properties

Compound Name1-methylquinoline-2,5,8-trione
PubChem CID5325722
Molecular FormulaC10H7NO3
Molecular Weight189.17 g/mol
Exact Mass189.04
IUPAC Name1-methylquinoline-2,5,8-trione
SMILESCn1c2c(ccc1=O)C(=O)C=CC2=O
InChIInChI=1S/C10H7NO3/c1-11-9(14)5-2-6-7(12)3-4-8(13)10(6)11/h2-5H,1H3
InChIKeyLYMKIWPWDNSKFU-UHFFFAOYSA-N
XLogP0.32
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

2,5,8(1H)-Quinolinetrione
CID 267592
Quinone, 12
CID 14929519
6-Dimethylamino-1h-quinoline-2,5,8-trione
CID 14357756
6-Dimethylamino-1-methyl-1h-quinoline-2,5,8-trione
CID 15154335
1-Acetyl-6,7,8,9-tetrahydroquinolizin-4-one
CID 15421000
3-methyl-1H-quinoline-2,5,8-trione
CID 101180032
1-Methyl-6-propanoylpyridin-2-one
CID 12331408
1,4-dimethyl-8H-quinoline-2,7-dione
CID 19829051
2-Acetyl-7-methylquinolizin-4-one
CID 21364098
6-Amino-1,3,4-trimethylquinoline-2,5,8-trione
CID 21802184
6,7-Bis(ethenyl)-1-methylazepine-2,5-dione
CID 89075832
2-Acetylquinolizin-4-one
CID 118627592

Frequently Asked Questions

What is the IUPAC name of 1-methylquinoline-2,5,8-trione?
The IUPAC name of 1-methylquinoline-2,5,8-trione (CID 5325722) is 1-methylquinoline-2,5,8-trione.
What is the SMILES notation for 1-methylquinoline-2,5,8-trione?
The canonical SMILES for 1-methylquinoline-2,5,8-trione is Cn1c2c(ccc1=O)C(=O)C=CC2=O.
What is the InChIKey of 1-methylquinoline-2,5,8-trione?
The InChIKey is LYMKIWPWDNSKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3/c1-11-9(14)5-2-6-7(12)3-4-8(13)10(6)11/h2-5H,1H3.
What are the key properties of 1-methylquinoline-2,5,8-trione?
1-methylquinoline-2,5,8-trione has a molecular weight of 189.17 g/mol, XLogP of 0.32, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylquinoline-2,5,8-trione is sourced from PubChem (CID 5325722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).