6-fluoro-2-[4-(2-formylphenyl)phenyl]-3-methylquinoline-4-carboxylic acid

C24H16FNO3 — CID 87930625

IUPAC6-fluoro-2-[4-(2-formylphenyl)phenyl]-3-methylquinoline-4-carboxylic acid
SMILESCc1c(-c2ccc(-c3ccccc3C=O)cc2)nc2ccc(F)cc2c1C(=O)O
InChIInChI=1S/C24H16FNO3/c1-14-22(24(28)29)20-12-18(25)10-11-21(20)26-23(14)16-8-6-15(7-9-16)19-5-3-2-4-17(19)13-27/h2-13H,1H3,(H,28,29)
InChIKeyMLQIVLYPDFDEGP-UHFFFAOYSA-N
MW385.39 g/mol
LogP5.53
Rot. Bonds4

About 6-fluoro-2-[4-(2-formylphenyl)phenyl]-3-methylquinoline-4-carboxylic acid

6-fluoro-2-[4-(2-formylphenyl)phenyl]-3-methylquinoline-4-carboxylic acid (PubChem CID 87930625) has the molecular formula C24H16FNO3 and a molecular weight of 385.39 g/mol. Its IUPAC name is 6-fluoro-2-[4-(2-formylphenyl)phenyl]-3-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-2-[4-(2-formylphenyl)phenyl]-3-methylquinoline-4-carboxylic acid
PubChem CID87930625
Molecular FormulaC24H16FNO3
Molecular Weight385.39 g/mol
Exact Mass385.11
IUPAC Name6-fluoro-2-[4-(2-formylphenyl)phenyl]-3-methylquinoline-4-carboxylic acid
SMILESCc1c(-c2ccc(-c3ccccc3C=O)cc2)nc2ccc(F)cc2c1C(=O)O
InChIInChI=1S/C24H16FNO3/c1-14-22(24(28)29)20-12-18(25)10-11-21(20)26-23(14)16-8-6-15(7-9-16)19-5-3-2-4-17(19)13-27/h2-13H,1H3,(H,28,29)
InChIKeyMLQIVLYPDFDEGP-UHFFFAOYSA-N
XLogP5.53
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.39
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[4-(2-formylphenyl)phenyl]-3-methylquinoline-4-carboxylic acid?
The IUPAC name of 6-fluoro-2-[4-(2-formylphenyl)phenyl]-3-methylquinoline-4-carboxylic acid (CID 87930625) is 6-fluoro-2-[4-(2-formylphenyl)phenyl]-3-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-fluoro-2-[4-(2-formylphenyl)phenyl]-3-methylquinoline-4-carboxylic acid?
The canonical SMILES for 6-fluoro-2-[4-(2-formylphenyl)phenyl]-3-methylquinoline-4-carboxylic acid is Cc1c(-c2ccc(-c3ccccc3C=O)cc2)nc2ccc(F)cc2c1C(=O)O.
What is the InChIKey of 6-fluoro-2-[4-(2-formylphenyl)phenyl]-3-methylquinoline-4-carboxylic acid?
The InChIKey is MLQIVLYPDFDEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FNO3/c1-14-22(24(28)29)20-12-18(25)10-11-21(20)26-23(14)16-8-6-15(7-9-16)19-5-3-2-4-17(19)13-27/h2-13H,1H3,(H,28,29).
What are the key properties of 6-fluoro-2-[4-(2-formylphenyl)phenyl]-3-methylquinoline-4-carboxylic acid?
6-fluoro-2-[4-(2-formylphenyl)phenyl]-3-methylquinoline-4-carboxylic acid has a molecular weight of 385.39 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[4-(2-formylphenyl)phenyl]-3-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 87930625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).