5-fluoro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde

C17H16FNO — CID 43312932

IUPAC5-fluoro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde
SMILESCc1ccc2c(c1)CCCN2c1ccc(F)cc1C=O
InChIInChI=1S/C17H16FNO/c1-12-4-6-16-13(9-12)3-2-8-19(16)17-7-5-15(18)10-14(17)11-20/h4-7,9-11H,2-3,8H2,1H3
InChIKeyKXUPJXTVQDDVSY-UHFFFAOYSA-N
MW269.32 g/mol
LogP4.03
Rot. Bonds2

About 5-fluoro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde

5-fluoro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde (PubChem CID 43312932) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 5-fluoro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde.

Molecular Properties

Compound Name5-fluoro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde
PubChem CID43312932
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name5-fluoro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde
SMILESCc1ccc2c(c1)CCCN2c1ccc(F)cc1C=O
InChIInChI=1S/C17H16FNO/c1-12-4-6-16-13(9-12)3-2-8-19(16)17-7-5-15(18)10-14(17)11-20/h4-7,9-11H,2-3,8H2,1H3
InChIKeyKXUPJXTVQDDVSY-UHFFFAOYSA-N
XLogP4.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde?
The IUPAC name of 5-fluoro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde (CID 43312932) is 5-fluoro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde.
What is the SMILES notation for 5-fluoro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde?
The canonical SMILES for 5-fluoro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde is Cc1ccc2c(c1)CCCN2c1ccc(F)cc1C=O.
What is the InChIKey of 5-fluoro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde?
The InChIKey is KXUPJXTVQDDVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c1-12-4-6-16-13(9-12)3-2-8-19(16)17-7-5-15(18)10-14(17)11-20/h4-7,9-11H,2-3,8H2,1H3.
What are the key properties of 5-fluoro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde?
5-fluoro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde has a molecular weight of 269.32 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde is sourced from PubChem (CID 43312932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).