7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde

C11H12FNO — CID 83907506

IUPAC7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde
SMILESCN1CCC(C=O)c2ccc(F)cc21
InChIInChI=1S/C11H12FNO/c1-13-5-4-8(7-14)10-3-2-9(12)6-11(10)13/h2-3,6-8H,4-5H2,1H3
InChIKeyBRWVVMOQFUSABW-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.95
Rot. Bonds1

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

7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde (PubChem CID 83907506) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde.

Molecular Properties

Compound Name7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde
PubChem CID83907506
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde
SMILESCN1CCC(C=O)c2ccc(F)cc21
InChIInChI=1S/C11H12FNO/c1-13-5-4-8(7-14)10-3-2-9(12)6-11(10)13/h2-3,6-8H,4-5H2,1H3
InChIKeyBRWVVMOQFUSABW-UHFFFAOYSA-N
XLogP1.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 2886593
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CID 129753326
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CID 22323517
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CID 3161866
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CID 14873013
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CID 73332874
CID 73332874
CID 154713981
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CID 155932138
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CID 162787699
CID 162787699

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde?
The IUPAC name of 7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde (CID 83907506) is 7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde.
What is the SMILES notation for 7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde?
The canonical SMILES for 7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde is CN1CCC(C=O)c2ccc(F)cc21.
What is the InChIKey of 7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde?
The InChIKey is BRWVVMOQFUSABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-13-5-4-8(7-14)10-3-2-9(12)6-11(10)13/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde?
7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde has a molecular weight of 193.22 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde is sourced from PubChem (CID 83907506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).