7-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carbaldehyde

C14H11F2NO3 — CID 88965440

IUPAC7-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carbaldehyde
SMILESCOc1c(F)ccc2c(=O)c(C=O)cn([C@@H]3C[C@@H]3F)c12
InChIInChI=1S/C14H11F2NO3/c1-20-14-9(15)3-2-8-12(14)17(11-4-10(11)16)5-7(6-18)13(8)19/h2-3,5-6,10-11H,4H2,1H3/t10-,11+/m0/s1
InChIKeyWTKWQPLXZMRKSO-WDEREUQCSA-N
MW279.24 g/mol
LogP2.24
Rot. Bonds3

About 7-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carbaldehyde

7-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carbaldehyde (PubChem CID 88965440) has the molecular formula C14H11F2NO3 and a molecular weight of 279.24 g/mol. Its IUPAC name is 7-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carbaldehyde.

Molecular Properties

Compound Name7-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carbaldehyde
PubChem CID88965440
Molecular FormulaC14H11F2NO3
Molecular Weight279.24 g/mol
Exact Mass279.07
IUPAC Name7-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carbaldehyde
SMILESCOc1c(F)ccc2c(=O)c(C=O)cn([C@@H]3C[C@@H]3F)c12
InChIInChI=1S/C14H11F2NO3/c1-20-14-9(15)3-2-8-12(14)17(11-4-10(11)16)5-7(6-18)13(8)19/h2-3,5-6,10-11H,4H2,1H3/t10-,11+/m0/s1
InChIKeyWTKWQPLXZMRKSO-WDEREUQCSA-N
XLogP2.24
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carbaldehyde?
The IUPAC name of 7-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carbaldehyde (CID 88965440) is 7-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carbaldehyde.
What is the SMILES notation for 7-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carbaldehyde?
The canonical SMILES for 7-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carbaldehyde is COc1c(F)ccc2c(=O)c(C=O)cn([C@@H]3C[C@@H]3F)c12.
What is the InChIKey of 7-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carbaldehyde?
The InChIKey is WTKWQPLXZMRKSO-WDEREUQCSA-N. The full InChI is InChI=1S/C14H11F2NO3/c1-20-14-9(15)3-2-8-12(14)17(11-4-10(11)16)5-7(6-18)13(8)19/h2-3,5-6,10-11H,4H2,1H3/t10-,11+/m0/s1.
What are the key properties of 7-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carbaldehyde?
7-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carbaldehyde has a molecular weight of 279.24 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carbaldehyde is sourced from PubChem (CID 88965440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).