4-[(2-fluorophenyl)methylamino]-2-oxo-1H-quinoline-3-carbaldehyde

C17H13FN2O2 — CID 6504189

IUPAC4-[(2-fluorophenyl)methylamino]-2-oxo-1H-quinoline-3-carbaldehyde
SMILESO=Cc1c(NCc2ccccc2F)c2ccccc2[nH]c1=O
InChIInChI=1S/C17H13FN2O2/c18-14-7-3-1-5-11(14)9-19-16-12-6-2-4-8-15(12)20-17(22)13(16)10-21/h1-8,10H,9H2,(H2,19,20,22)
InChIKeyQJUJOQIVOCOTAP-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.09
Rot. Bonds4

About 4-[(2-fluorophenyl)methylamino]-2-oxo-1H-quinoline-3-carbaldehyde

4-[(2-fluorophenyl)methylamino]-2-oxo-1H-quinoline-3-carbaldehyde (PubChem CID 6504189) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methylamino]-2-oxo-1H-quinoline-3-carbaldehyde.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methylamino]-2-oxo-1H-quinoline-3-carbaldehyde
PubChem CID6504189
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name4-[(2-fluorophenyl)methylamino]-2-oxo-1H-quinoline-3-carbaldehyde
SMILESO=Cc1c(NCc2ccccc2F)c2ccccc2[nH]c1=O
InChIInChI=1S/C17H13FN2O2/c18-14-7-3-1-5-11(14)9-19-16-12-6-2-4-8-15(12)20-17(22)13(16)10-21/h1-8,10H,9H2,(H2,19,20,22)
InChIKeyQJUJOQIVOCOTAP-UHFFFAOYSA-N
XLogP3.09
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-Hydroxy-quinolin-4-ylmethyl)-N-phenyl-propionamide
CID 943545
2-Hydroxyquinoline-3-carbaldehyde
CID 589334
7-(Benzylamino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 22279210
N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxamide
CID 46911790
1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide
CID 118735884
N-(4-fluorophenyl)-3-[4-(2-methylphenyl)piperazin-1-yl]propanamide
CID 719495
N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 939075
N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide
CID 944274
2-methyl-N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 947598
4-(3-Fluoro-benzylamino)-2-oxo-1,2-dihydro-quinoline-3-carbaldehyde
CID 6502643
4-Benzylamino-2-oxo-1,2-dihydro-quinoline-3-carbaldehyde
CID 6502644
4-(4-Fluoro-benzylamino)-2-oxo-1,2-dihydro-quinoline-3-carbaldehyde
CID 6502646

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methylamino]-2-oxo-1H-quinoline-3-carbaldehyde?
The IUPAC name of 4-[(2-fluorophenyl)methylamino]-2-oxo-1H-quinoline-3-carbaldehyde (CID 6504189) is 4-[(2-fluorophenyl)methylamino]-2-oxo-1H-quinoline-3-carbaldehyde.
What is the SMILES notation for 4-[(2-fluorophenyl)methylamino]-2-oxo-1H-quinoline-3-carbaldehyde?
The canonical SMILES for 4-[(2-fluorophenyl)methylamino]-2-oxo-1H-quinoline-3-carbaldehyde is O=Cc1c(NCc2ccccc2F)c2ccccc2[nH]c1=O.
What is the InChIKey of 4-[(2-fluorophenyl)methylamino]-2-oxo-1H-quinoline-3-carbaldehyde?
The InChIKey is QJUJOQIVOCOTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c18-14-7-3-1-5-11(14)9-19-16-12-6-2-4-8-15(12)20-17(22)13(16)10-21/h1-8,10H,9H2,(H2,19,20,22).
What are the key properties of 4-[(2-fluorophenyl)methylamino]-2-oxo-1H-quinoline-3-carbaldehyde?
4-[(2-fluorophenyl)methylamino]-2-oxo-1H-quinoline-3-carbaldehyde has a molecular weight of 296.30 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methylamino]-2-oxo-1H-quinoline-3-carbaldehyde is sourced from PubChem (CID 6504189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).