7-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde

C12H10FNO2 — CID 84623265

IUPAC7-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde
SMILESCc1c(C=O)c(=O)n(C)c2cc(F)ccc12
InChIInChI=1S/C12H10FNO2/c1-7-9-4-3-8(13)5-11(9)14(2)12(16)10(7)6-15/h3-6H,1-2H3
InChIKeyFTWAVURZYOKMOA-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.80
Rot. Bonds1

About 7-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde

7-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde (PubChem CID 84623265) has the molecular formula C12H10FNO2 and a molecular weight of 219.22 g/mol. Its IUPAC name is 7-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde.

Molecular Properties

Compound Name7-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde
PubChem CID84623265
Molecular FormulaC12H10FNO2
Molecular Weight219.22 g/mol
Exact Mass219.07
IUPAC Name7-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde
SMILESCc1c(C=O)c(=O)n(C)c2cc(F)ccc12
InChIInChI=1S/C12H10FNO2/c1-7-9-4-3-8(13)5-11(9)14(2)12(16)10(7)6-15/h3-6H,1-2H3
InChIKeyFTWAVURZYOKMOA-UHFFFAOYSA-N
XLogP1.80
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde
CID 84628273
8-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde
CID 84623267
7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbaldehyde
CID 84620523
(E)-3-(6-fluoro-1,3-dimethylindol-2-yl)prop-2-enoic acid
CID 82495984
6-fluoro-2-methylnaphthalene-1-carbaldehyde
CID 66572465
1,4,5,7-tetramethyl-2-oxoquinoline-3-carbaldehyde
CID 84625850
1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbaldehyde
CID 143672150
3,9-difluoroindazolo[2,1-a]indazole-6,12-dione
CID 102073987
4-ethyl-7-fluoro-1-methyl-2-oxoquinoline-3-carboxylic acid
CID 84633403
3-(6-fluoro-1,3-dimethylindol-2-yl)propan-1-amine
CID 84623642
2-(7-fluoro-4-methyl-2-oxoquinolin-1-yl)acetaldehyde
CID 59398124
3-(aminomethyl)-6-fluoro-1,4-dimethylquinolin-2-one
CID 84623498

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde?
The IUPAC name of 7-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde (CID 84623265) is 7-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde.
What is the SMILES notation for 7-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde?
The canonical SMILES for 7-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde is Cc1c(C=O)c(=O)n(C)c2cc(F)ccc12.
What is the InChIKey of 7-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde?
The InChIKey is FTWAVURZYOKMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2/c1-7-9-4-3-8(13)5-11(9)14(2)12(16)10(7)6-15/h3-6H,1-2H3.
What are the key properties of 7-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde?
7-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde has a molecular weight of 219.22 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde is sourced from PubChem (CID 84623265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).