methyl 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carboxylate;methyl 4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxylate

C38H40F2N4O5 — CID 160798702

IUPACmethyl 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carboxylate;methyl 4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxylate
SMILESCOC(=O)c1c(C(C)C)nc2c(c1-c1ccc(F)cc1)CCC(=O)N2.COC(=O)c1c(C(C)C)nc2c(c1-c1ccc(F)cc1)CCCN2
InChIInChI=1S/C19H19FN2O3.C19H21FN2O2/c1-10(2)17-16(19(24)25-3)15(11-4-6-12(20)7-5-11)13-8-9-14(23)21-18(13)22-17;1-11(2)17-16(19(23)24-3)15(12-6-8-13(20)9-7-12)14-5-4-10-21-18(14)22-17/h4-7,10H,8-9H2,1-3H3,(H,21,22,23);6-9,11H,4-5,10H2,1-3H3,(H,21,22)
InChIKeySCTVZYQBLXLULP-UHFFFAOYSA-N
MW670.76 g/mol
LogP7.84
Rot. Bonds6

About methyl 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carboxylate;methyl 4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxylate

methyl 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carboxylate;methyl 4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxylate (PubChem CID 160798702) has the molecular formula C38H40F2N4O5 and a molecular weight of 670.76 g/mol. Its IUPAC name is methyl 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carboxylate;methyl 4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carboxylate;methyl 4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxylate
PubChem CID160798702
Molecular FormulaC38H40F2N4O5
Molecular Weight670.76 g/mol
Exact Mass670.30
IUPAC Namemethyl 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carboxylate;methyl 4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxylate
SMILESCOC(=O)c1c(C(C)C)nc2c(c1-c1ccc(F)cc1)CCC(=O)N2.COC(=O)c1c(C(C)C)nc2c(c1-c1ccc(F)cc1)CCCN2
InChIInChI=1S/C19H19FN2O3.C19H21FN2O2/c1-10(2)17-16(19(24)25-3)15(11-4-6-12(20)7-5-11)13-8-9-14(23)21-18(13)22-17;1-11(2)17-16(19(23)24-3)15(12-6-8-13(20)9-7-12)14-5-4-10-21-18(14)22-17/h4-7,10H,8-9H2,1-3H3,(H,21,22,23);6-9,11H,4-5,10H2,1-3H3,(H,21,22)
InChIKeySCTVZYQBLXLULP-UHFFFAOYSA-N
XLogP7.84
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.76
LogP ≤ 57.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carboxylate;methyl 4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carboxylate;methyl 4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxylate?
The IUPAC name of methyl 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carboxylate;methyl 4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxylate (CID 160798702) is methyl 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carboxylate;methyl 4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carboxylate;methyl 4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carboxylate;methyl 4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxylate is COC(=O)c1c(C(C)C)nc2c(c1-c1ccc(F)cc1)CCC(=O)N2.COC(=O)c1c(C(C)C)nc2c(c1-c1ccc(F)cc1)CCCN2.
What is the InChIKey of methyl 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carboxylate;methyl 4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxylate?
The InChIKey is SCTVZYQBLXLULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3.C19H21FN2O2/c1-10(2)17-16(19(24)25-3)15(11-4-6-12(20)7-5-11)13-8-9-14(23)21-18(13)22-17;1-11(2)17-16(19(23)24-3)15(12-6-8-13(20)9-7-12)14-5-4-10-21-18(14)22-17/h4-7,10H,8-9H2,1-3H3,(H,21,22,23);6-9,11H,4-5,10H2,1-3H3,(H,21,22).
What are the key properties of methyl 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carboxylate;methyl 4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxylate?
methyl 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carboxylate;methyl 4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxylate has a molecular weight of 670.76 g/mol, XLogP of 7.84, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carboxylate;methyl 4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 160798702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).