7-fluoro-4-(4-fluorophenyl)-3-propan-2-ylquinoline-6-carbaldehyde

C19H15F2NO — CID 156879611

IUPAC7-fluoro-4-(4-fluorophenyl)-3-propan-2-ylquinoline-6-carbaldehyde
SMILESCC(C)c1cnc2cc(F)c(C=O)cc2c1-c1ccc(F)cc1
InChIInChI=1S/C19H15F2NO/c1-11(2)16-9-22-18-8-17(21)13(10-23)7-15(18)19(16)12-3-5-14(20)6-4-12/h3-11H,1-2H3
InChIKeyTVTPFVPRHNQWBS-UHFFFAOYSA-N
MW311.33 g/mol
LogP5.12
Rot. Bonds3

About 7-fluoro-4-(4-fluorophenyl)-3-propan-2-ylquinoline-6-carbaldehyde

7-fluoro-4-(4-fluorophenyl)-3-propan-2-ylquinoline-6-carbaldehyde (PubChem CID 156879611) has the molecular formula C19H15F2NO and a molecular weight of 311.33 g/mol. Its IUPAC name is 7-fluoro-4-(4-fluorophenyl)-3-propan-2-ylquinoline-6-carbaldehyde.

Molecular Properties

Compound Name7-fluoro-4-(4-fluorophenyl)-3-propan-2-ylquinoline-6-carbaldehyde
PubChem CID156879611
Molecular FormulaC19H15F2NO
Molecular Weight311.33 g/mol
Exact Mass311.11
IUPAC Name7-fluoro-4-(4-fluorophenyl)-3-propan-2-ylquinoline-6-carbaldehyde
SMILESCC(C)c1cnc2cc(F)c(C=O)cc2c1-c1ccc(F)cc1
InChIInChI=1S/C19H15F2NO/c1-11(2)16-9-22-18-8-17(21)13(10-23)7-15(18)19(16)12-3-5-14(20)6-4-12/h3-11H,1-2H3
InChIKeyTVTPFVPRHNQWBS-UHFFFAOYSA-N
XLogP5.12
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.33
LogP ≤ 55.12
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 7-fluoro-4-(4-fluorophenyl)-3-propan-2-ylquinoline-6-carbaldehyde?
The IUPAC name of 7-fluoro-4-(4-fluorophenyl)-3-propan-2-ylquinoline-6-carbaldehyde (CID 156879611) is 7-fluoro-4-(4-fluorophenyl)-3-propan-2-ylquinoline-6-carbaldehyde.
What is the SMILES notation for 7-fluoro-4-(4-fluorophenyl)-3-propan-2-ylquinoline-6-carbaldehyde?
The canonical SMILES for 7-fluoro-4-(4-fluorophenyl)-3-propan-2-ylquinoline-6-carbaldehyde is CC(C)c1cnc2cc(F)c(C=O)cc2c1-c1ccc(F)cc1.
What is the InChIKey of 7-fluoro-4-(4-fluorophenyl)-3-propan-2-ylquinoline-6-carbaldehyde?
The InChIKey is TVTPFVPRHNQWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO/c1-11(2)16-9-22-18-8-17(21)13(10-23)7-15(18)19(16)12-3-5-14(20)6-4-12/h3-11H,1-2H3.
What are the key properties of 7-fluoro-4-(4-fluorophenyl)-3-propan-2-ylquinoline-6-carbaldehyde?
7-fluoro-4-(4-fluorophenyl)-3-propan-2-ylquinoline-6-carbaldehyde has a molecular weight of 311.33 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-(4-fluorophenyl)-3-propan-2-ylquinoline-6-carbaldehyde is sourced from PubChem (CID 156879611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).