7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbaldehyde

C11H8FNO2 — CID 84620523

IUPAC7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbaldehyde
SMILESCc1c(C=O)c(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C11H8FNO2/c1-6-8-3-2-7(12)4-10(8)13-11(15)9(6)5-14/h2-5H,1H3,(H,13,15)
InChIKeyFDULCFGMCGHYKL-UHFFFAOYSA-N
MW205.19 g/mol
LogP1.79
Rot. Bonds1

About 7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbaldehyde

7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbaldehyde (PubChem CID 84620523) has the molecular formula C11H8FNO2 and a molecular weight of 205.19 g/mol. Its IUPAC name is 7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbaldehyde.

Molecular Properties

Compound Name7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbaldehyde
PubChem CID84620523
Molecular FormulaC11H8FNO2
Molecular Weight205.19 g/mol
Exact Mass205.05
IUPAC Name7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbaldehyde
SMILESCc1c(C=O)c(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C11H8FNO2/c1-6-8-3-2-7(12)4-10(8)13-11(15)9(6)5-14/h2-5H,1H3,(H,13,15)
InChIKeyFDULCFGMCGHYKL-UHFFFAOYSA-N
XLogP1.79
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbonitrile
CID 84619808
7-fluoro-4-oxo-1H-quinoline-2-carbaldehyde
CID 91619062
7-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde
CID 84623265
3-bromo-6-fluoro-1H-indole-2-carbaldehyde
CID 115044531
6-fluoro-2-methyl-1H-indole-3-carboxylic acid
CID 82402312
7-fluoro-9H-carbazole-3-carbaldehyde
CID 90202443
3-butyl-7-fluoro-4-hydroxy-1H-quinolin-2-one
CID 54705971
6-fluoro-2-methylnaphthalene-1-carbaldehyde
CID 66572465
2-bromo-7-fluoro-1H-quinolin-4-one
CID 133056060
3,9-difluoro-8-propan-2-yl-5H-phenanthridin-6-one;molecular hydrogen
CID 178050281
8-fluoro-6-oxo-5H-phenanthridine-3-sulfonic acid
CID 10085758
2-(4-fluorophenyl)-6,7-dimethyl-1H-indole-3-carbaldehyde
CID 3817795

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbaldehyde?
The IUPAC name of 7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbaldehyde (CID 84620523) is 7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbaldehyde.
What is the SMILES notation for 7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbaldehyde?
The canonical SMILES for 7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbaldehyde is Cc1c(C=O)c(=O)[nH]c2cc(F)ccc12.
What is the InChIKey of 7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbaldehyde?
The InChIKey is FDULCFGMCGHYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2/c1-6-8-3-2-7(12)4-10(8)13-11(15)9(6)5-14/h2-5H,1H3,(H,13,15).
What are the key properties of 7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbaldehyde?
7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbaldehyde has a molecular weight of 205.19 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbaldehyde is sourced from PubChem (CID 84620523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).