methyl 6-(3-chloro-4-fluorophenyl)-8-ethyl-8-methyl-5-(3-methylbutyl)-6,7-dihydro-1,5-naphthyridine-2-carboxylate

C24H30ClFN2O2 — CID 66587705

IUPACmethyl 6-(3-chloro-4-fluorophenyl)-8-ethyl-8-methyl-5-(3-methylbutyl)-6,7-dihydro-1,5-naphthyridine-2-carboxylate
SMILESCCC1(C)CC(c2ccc(F)c(Cl)c2)N(CCC(C)C)c2ccc(C(=O)OC)nc21
InChIInChI=1S/C24H30ClFN2O2/c1-6-24(4)14-21(16-7-8-18(26)17(25)13-16)28(12-11-15(2)3)20-10-9-19(23(29)30-5)27-22(20)24/h7-10,13,15,21H,6,11-12,14H2,1-5H3
InChIKeyKYGXDRICBMBDFK-UHFFFAOYSA-N
MW432.97 g/mol
LogP6.33
Rot. Bonds6

About methyl 6-(3-chloro-4-fluorophenyl)-8-ethyl-8-methyl-5-(3-methylbutyl)-6,7-dihydro-1,5-naphthyridine-2-carboxylate

methyl 6-(3-chloro-4-fluorophenyl)-8-ethyl-8-methyl-5-(3-methylbutyl)-6,7-dihydro-1,5-naphthyridine-2-carboxylate (PubChem CID 66587705) has the molecular formula C24H30ClFN2O2 and a molecular weight of 432.97 g/mol. Its IUPAC name is methyl 6-(3-chloro-4-fluorophenyl)-8-ethyl-8-methyl-5-(3-methylbutyl)-6,7-dihydro-1,5-naphthyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3-chloro-4-fluorophenyl)-8-ethyl-8-methyl-5-(3-methylbutyl)-6,7-dihydro-1,5-naphthyridine-2-carboxylate
PubChem CID66587705
Molecular FormulaC24H30ClFN2O2
Molecular Weight432.97 g/mol
Exact Mass432.20
IUPAC Namemethyl 6-(3-chloro-4-fluorophenyl)-8-ethyl-8-methyl-5-(3-methylbutyl)-6,7-dihydro-1,5-naphthyridine-2-carboxylate
SMILESCCC1(C)CC(c2ccc(F)c(Cl)c2)N(CCC(C)C)c2ccc(C(=O)OC)nc21
InChIInChI=1S/C24H30ClFN2O2/c1-6-24(4)14-21(16-7-8-18(26)17(25)13-16)28(12-11-15(2)3)20-10-9-19(23(29)30-5)27-22(20)24/h7-10,13,15,21H,6,11-12,14H2,1-5H3
InChIKeyKYGXDRICBMBDFK-UHFFFAOYSA-N
XLogP6.33
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.97
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 6-(3-chloro-4-fluorophenyl)-8-ethyl-8-methyl-5-(3-methylbutyl)-6,7-dihydro-1,5-naphthyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(3-chloro-4-fluorophenyl)-8-ethyl-8-methyl-5-(3-methylbutyl)-6,7-dihydro-1,5-naphthyridine-2-carboxylate?
The IUPAC name of methyl 6-(3-chloro-4-fluorophenyl)-8-ethyl-8-methyl-5-(3-methylbutyl)-6,7-dihydro-1,5-naphthyridine-2-carboxylate (CID 66587705) is methyl 6-(3-chloro-4-fluorophenyl)-8-ethyl-8-methyl-5-(3-methylbutyl)-6,7-dihydro-1,5-naphthyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(3-chloro-4-fluorophenyl)-8-ethyl-8-methyl-5-(3-methylbutyl)-6,7-dihydro-1,5-naphthyridine-2-carboxylate?
The canonical SMILES for methyl 6-(3-chloro-4-fluorophenyl)-8-ethyl-8-methyl-5-(3-methylbutyl)-6,7-dihydro-1,5-naphthyridine-2-carboxylate is CCC1(C)CC(c2ccc(F)c(Cl)c2)N(CCC(C)C)c2ccc(C(=O)OC)nc21.
What is the InChIKey of methyl 6-(3-chloro-4-fluorophenyl)-8-ethyl-8-methyl-5-(3-methylbutyl)-6,7-dihydro-1,5-naphthyridine-2-carboxylate?
The InChIKey is KYGXDRICBMBDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClFN2O2/c1-6-24(4)14-21(16-7-8-18(26)17(25)13-16)28(12-11-15(2)3)20-10-9-19(23(29)30-5)27-22(20)24/h7-10,13,15,21H,6,11-12,14H2,1-5H3.
What are the key properties of methyl 6-(3-chloro-4-fluorophenyl)-8-ethyl-8-methyl-5-(3-methylbutyl)-6,7-dihydro-1,5-naphthyridine-2-carboxylate?
methyl 6-(3-chloro-4-fluorophenyl)-8-ethyl-8-methyl-5-(3-methylbutyl)-6,7-dihydro-1,5-naphthyridine-2-carboxylate has a molecular weight of 432.97 g/mol, XLogP of 6.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3-chloro-4-fluorophenyl)-8-ethyl-8-methyl-5-(3-methylbutyl)-6,7-dihydro-1,5-naphthyridine-2-carboxylate is sourced from PubChem (CID 66587705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).