propan-2-yl 5-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydro-1,7-naphthyridine-8-carboxylate

C19H21FN2O2 — CID 59158439

IUPACpropan-2-yl 5-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydro-1,7-naphthyridine-8-carboxylate
SMILESCC(C)OC(=O)c1ncc(Cc2ccc(F)cc2)c2c1NCCC2
InChIInChI=1S/C19H21FN2O2/c1-12(2)24-19(23)18-17-16(4-3-9-21-17)14(11-22-18)10-13-5-7-15(20)8-6-13/h5-8,11-12,21H,3-4,9-10H2,1-2H3
InChIKeyOBGMAOHMLINYBH-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.73
Rot. Bonds4

About propan-2-yl 5-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydro-1,7-naphthyridine-8-carboxylate

propan-2-yl 5-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydro-1,7-naphthyridine-8-carboxylate (PubChem CID 59158439) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is propan-2-yl 5-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydro-1,7-naphthyridine-8-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydro-1,7-naphthyridine-8-carboxylate
PubChem CID59158439
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Namepropan-2-yl 5-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydro-1,7-naphthyridine-8-carboxylate
SMILESCC(C)OC(=O)c1ncc(Cc2ccc(F)cc2)c2c1NCCC2
InChIInChI=1S/C19H21FN2O2/c1-12(2)24-19(23)18-17-16(4-3-9-21-17)14(11-22-18)10-13-5-7-15(20)8-6-13/h5-8,11-12,21H,3-4,9-10H2,1-2H3
InChIKeyOBGMAOHMLINYBH-UHFFFAOYSA-N
XLogP3.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydro-1,7-naphthyridine-8-carboxylate?
The IUPAC name of propan-2-yl 5-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydro-1,7-naphthyridine-8-carboxylate (CID 59158439) is propan-2-yl 5-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydro-1,7-naphthyridine-8-carboxylate.
What is the SMILES notation for propan-2-yl 5-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydro-1,7-naphthyridine-8-carboxylate?
The canonical SMILES for propan-2-yl 5-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydro-1,7-naphthyridine-8-carboxylate is CC(C)OC(=O)c1ncc(Cc2ccc(F)cc2)c2c1NCCC2.
What is the InChIKey of propan-2-yl 5-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydro-1,7-naphthyridine-8-carboxylate?
The InChIKey is OBGMAOHMLINYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-12(2)24-19(23)18-17-16(4-3-9-21-17)14(11-22-18)10-13-5-7-15(20)8-6-13/h5-8,11-12,21H,3-4,9-10H2,1-2H3.
What are the key properties of propan-2-yl 5-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydro-1,7-naphthyridine-8-carboxylate?
propan-2-yl 5-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydro-1,7-naphthyridine-8-carboxylate has a molecular weight of 328.39 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydro-1,7-naphthyridine-8-carboxylate is sourced from PubChem (CID 59158439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).