3-[(fluoroamino)methyl]-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-2,4-dihydrochromene-3-carbaldehyde

C19H18FN3O4 — CID 166960073

IUPAC3-[(fluoroamino)methyl]-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-2,4-dihydrochromene-3-carbaldehyde
SMILESO=CC1(CNF)COc2ccc(Oc3ccnc4c3CCC(=O)N4)cc2C1
InChIInChI=1S/C19H18FN3O4/c20-22-9-19(10-24)8-12-7-13(1-3-15(12)26-11-19)27-16-5-6-21-18-14(16)2-4-17(25)23-18/h1,3,5-7,10,22H,2,4,8-9,11H2,(H,21,23,25)
InChIKeyOQJCSZRJTLTVLQ-UHFFFAOYSA-N
MW371.37 g/mol
LogP2.35
Rot. Bonds5

About 3-[(fluoroamino)methyl]-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-2,4-dihydrochromene-3-carbaldehyde

3-[(fluoroamino)methyl]-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-2,4-dihydrochromene-3-carbaldehyde (PubChem CID 166960073) has the molecular formula C19H18FN3O4 and a molecular weight of 371.37 g/mol. Its IUPAC name is 3-[(fluoroamino)methyl]-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-2,4-dihydrochromene-3-carbaldehyde.

Molecular Properties

Compound Name3-[(fluoroamino)methyl]-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-2,4-dihydrochromene-3-carbaldehyde
PubChem CID166960073
Molecular FormulaC19H18FN3O4
Molecular Weight371.37 g/mol
Exact Mass371.13
IUPAC Name3-[(fluoroamino)methyl]-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-2,4-dihydrochromene-3-carbaldehyde
SMILESO=CC1(CNF)COc2ccc(Oc3ccnc4c3CCC(=O)N4)cc2C1
InChIInChI=1S/C19H18FN3O4/c20-22-9-19(10-24)8-12-7-13(1-3-15(12)26-11-19)27-16-5-6-21-18-14(16)2-4-17(25)23-18/h1,3,5-7,10,22H,2,4,8-9,11H2,(H,21,23,25)
InChIKeyOQJCSZRJTLTVLQ-UHFFFAOYSA-N
XLogP2.35
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(hydroxymethyl)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydrocyclopropa[b][1]benzofuran-1-carbaldehyde
CID 126517842
1-(4-fluorophenyl)-4-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]butane-1,4-dione
CID 163820877
5-[[3-(5-pyridin-4-yl-3H-pyrrol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 158835012
5-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 118948531
5-[[(3R)-3-[5-[2-(difluoromethyl)-4-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 162772345
5-[[3-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 162712911
5-[[3-(4,6-dimethyl-1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 163909174
5-[[3-(4-methyl-1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 163561075
5-[[3-[4-[(dimethylamino)methyl]-6-methyl-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 163561076
5-[[3-[5-(2-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 163641755
5-[[(3S)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 162772352
5-[[(1S,1aR,6bR)-1-[2-(5-methyl-3-pyridinyl)-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 159835580

Frequently Asked Questions

What is the IUPAC name of 3-[(fluoroamino)methyl]-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-2,4-dihydrochromene-3-carbaldehyde?
The IUPAC name of 3-[(fluoroamino)methyl]-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-2,4-dihydrochromene-3-carbaldehyde (CID 166960073) is 3-[(fluoroamino)methyl]-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-2,4-dihydrochromene-3-carbaldehyde.
What is the SMILES notation for 3-[(fluoroamino)methyl]-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-2,4-dihydrochromene-3-carbaldehyde?
The canonical SMILES for 3-[(fluoroamino)methyl]-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-2,4-dihydrochromene-3-carbaldehyde is O=CC1(CNF)COc2ccc(Oc3ccnc4c3CCC(=O)N4)cc2C1.
What is the InChIKey of 3-[(fluoroamino)methyl]-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-2,4-dihydrochromene-3-carbaldehyde?
The InChIKey is OQJCSZRJTLTVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4/c20-22-9-19(10-24)8-12-7-13(1-3-15(12)26-11-19)27-16-5-6-21-18-14(16)2-4-17(25)23-18/h1,3,5-7,10,22H,2,4,8-9,11H2,(H,21,23,25).
What are the key properties of 3-[(fluoroamino)methyl]-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-2,4-dihydrochromene-3-carbaldehyde?
3-[(fluoroamino)methyl]-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-2,4-dihydrochromene-3-carbaldehyde has a molecular weight of 371.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(fluoroamino)methyl]-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-2,4-dihydrochromene-3-carbaldehyde is sourced from PubChem (CID 166960073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).