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

C19H20ClFN2O2 — CID 66587522

IUPACmethyl 6-(3-chloro-4-fluorophenyl)-8-ethyl-8-methyl-6,7-dihydro-5H-1,5-naphthyridine-2-carboxylate
SMILESCCC1(C)CC(c2ccc(F)c(Cl)c2)Nc2ccc(C(=O)OC)nc21
InChIInChI=1S/C19H20ClFN2O2/c1-4-19(2)10-16(11-5-6-13(21)12(20)9-11)22-14-7-8-15(18(24)25-3)23-17(14)19/h5-9,16,22H,4,10H2,1-3H3
InChIKeyRSMKJQYFRHSDHE-UHFFFAOYSA-N
MW362.83 g/mol
LogP4.89
Rot. Bonds3

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

methyl 6-(3-chloro-4-fluorophenyl)-8-ethyl-8-methyl-6,7-dihydro-5H-1,5-naphthyridine-2-carboxylate (PubChem CID 66587522) has the molecular formula C19H20ClFN2O2 and a molecular weight of 362.83 g/mol. Its IUPAC name is methyl 6-(3-chloro-4-fluorophenyl)-8-ethyl-8-methyl-6,7-dihydro-5H-1,5-naphthyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3-chloro-4-fluorophenyl)-8-ethyl-8-methyl-6,7-dihydro-5H-1,5-naphthyridine-2-carboxylate
PubChem CID66587522
Molecular FormulaC19H20ClFN2O2
Molecular Weight362.83 g/mol
Exact Mass362.12
IUPAC Namemethyl 6-(3-chloro-4-fluorophenyl)-8-ethyl-8-methyl-6,7-dihydro-5H-1,5-naphthyridine-2-carboxylate
SMILESCCC1(C)CC(c2ccc(F)c(Cl)c2)Nc2ccc(C(=O)OC)nc21
InChIInChI=1S/C19H20ClFN2O2/c1-4-19(2)10-16(11-5-6-13(21)12(20)9-11)22-14-7-8-15(18(24)25-3)23-17(14)19/h5-9,16,22H,4,10H2,1-3H3
InChIKeyRSMKJQYFRHSDHE-UHFFFAOYSA-N
XLogP4.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.83
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 6-(3-chloro-4-fluorophenyl)-8-ethyl-8-methyl-6,7-dihydro-5H-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-6,7-dihydro-5H-1,5-naphthyridine-2-carboxylate?
The IUPAC name of methyl 6-(3-chloro-4-fluorophenyl)-8-ethyl-8-methyl-6,7-dihydro-5H-1,5-naphthyridine-2-carboxylate (CID 66587522) is methyl 6-(3-chloro-4-fluorophenyl)-8-ethyl-8-methyl-6,7-dihydro-5H-1,5-naphthyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(3-chloro-4-fluorophenyl)-8-ethyl-8-methyl-6,7-dihydro-5H-1,5-naphthyridine-2-carboxylate?
The canonical SMILES for methyl 6-(3-chloro-4-fluorophenyl)-8-ethyl-8-methyl-6,7-dihydro-5H-1,5-naphthyridine-2-carboxylate is CCC1(C)CC(c2ccc(F)c(Cl)c2)Nc2ccc(C(=O)OC)nc21.
What is the InChIKey of methyl 6-(3-chloro-4-fluorophenyl)-8-ethyl-8-methyl-6,7-dihydro-5H-1,5-naphthyridine-2-carboxylate?
The InChIKey is RSMKJQYFRHSDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O2/c1-4-19(2)10-16(11-5-6-13(21)12(20)9-11)22-14-7-8-15(18(24)25-3)23-17(14)19/h5-9,16,22H,4,10H2,1-3H3.
What are the key properties of methyl 6-(3-chloro-4-fluorophenyl)-8-ethyl-8-methyl-6,7-dihydro-5H-1,5-naphthyridine-2-carboxylate?
methyl 6-(3-chloro-4-fluorophenyl)-8-ethyl-8-methyl-6,7-dihydro-5H-1,5-naphthyridine-2-carboxylate has a molecular weight of 362.83 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 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-6,7-dihydro-5H-1,5-naphthyridine-2-carboxylate is sourced from PubChem (CID 66587522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).