2-[3-(2-chloro-6-fluorophenyl)propyl]-8-hydroxy-6-methyl-7-methylidene-3,4-dihydro-2,6-naphthyridin-1-one

C19H20ClFN2O2 — CID 143003896

IUPAC2-[3-(2-chloro-6-fluorophenyl)propyl]-8-hydroxy-6-methyl-7-methylidene-3,4-dihydro-2,6-naphthyridin-1-one
SMILESC=C1C(O)=C2C(=O)N(CCCc3c(F)cccc3Cl)CCC2=CN1C
InChIInChI=1S/C19H20ClFN2O2/c1-12-18(24)17-13(11-22(12)2)8-10-23(19(17)25)9-4-5-14-15(20)6-3-7-16(14)21/h3,6-7,11,24H,1,4-5,8-10H2,2H3
InChIKeyMRJLSNYQBCXPMX-UHFFFAOYSA-N
MW362.83 g/mol
LogP3.80
Rot. Bonds4

About 2-[3-(2-chloro-6-fluorophenyl)propyl]-8-hydroxy-6-methyl-7-methylidene-3,4-dihydro-2,6-naphthyridin-1-one

2-[3-(2-chloro-6-fluorophenyl)propyl]-8-hydroxy-6-methyl-7-methylidene-3,4-dihydro-2,6-naphthyridin-1-one (PubChem CID 143003896) has the molecular formula C19H20ClFN2O2 and a molecular weight of 362.83 g/mol. Its IUPAC name is 2-[3-(2-chloro-6-fluorophenyl)propyl]-8-hydroxy-6-methyl-7-methylidene-3,4-dihydro-2,6-naphthyridin-1-one.

Molecular Properties

Compound Name2-[3-(2-chloro-6-fluorophenyl)propyl]-8-hydroxy-6-methyl-7-methylidene-3,4-dihydro-2,6-naphthyridin-1-one
PubChem CID143003896
Molecular FormulaC19H20ClFN2O2
Molecular Weight362.83 g/mol
Exact Mass362.12
IUPAC Name2-[3-(2-chloro-6-fluorophenyl)propyl]-8-hydroxy-6-methyl-7-methylidene-3,4-dihydro-2,6-naphthyridin-1-one
SMILESC=C1C(O)=C2C(=O)N(CCCc3c(F)cccc3Cl)CCC2=CN1C
InChIInChI=1S/C19H20ClFN2O2/c1-12-18(24)17-13(11-22(12)2)8-10-23(19(17)25)9-4-5-14-15(20)6-3-7-16(14)21/h3,6-7,11,24H,1,4-5,8-10H2,2H3
InChIKeyMRJLSNYQBCXPMX-UHFFFAOYSA-N
XLogP3.80
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.83
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chloro-6-fluorophenyl)propyl]-8-hydroxy-6-methyl-7-methylidene-3,4-dihydro-2,6-naphthyridin-1-one?
The IUPAC name of 2-[3-(2-chloro-6-fluorophenyl)propyl]-8-hydroxy-6-methyl-7-methylidene-3,4-dihydro-2,6-naphthyridin-1-one (CID 143003896) is 2-[3-(2-chloro-6-fluorophenyl)propyl]-8-hydroxy-6-methyl-7-methylidene-3,4-dihydro-2,6-naphthyridin-1-one.
What is the SMILES notation for 2-[3-(2-chloro-6-fluorophenyl)propyl]-8-hydroxy-6-methyl-7-methylidene-3,4-dihydro-2,6-naphthyridin-1-one?
The canonical SMILES for 2-[3-(2-chloro-6-fluorophenyl)propyl]-8-hydroxy-6-methyl-7-methylidene-3,4-dihydro-2,6-naphthyridin-1-one is C=C1C(O)=C2C(=O)N(CCCc3c(F)cccc3Cl)CCC2=CN1C.
What is the InChIKey of 2-[3-(2-chloro-6-fluorophenyl)propyl]-8-hydroxy-6-methyl-7-methylidene-3,4-dihydro-2,6-naphthyridin-1-one?
The InChIKey is MRJLSNYQBCXPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O2/c1-12-18(24)17-13(11-22(12)2)8-10-23(19(17)25)9-4-5-14-15(20)6-3-7-16(14)21/h3,6-7,11,24H,1,4-5,8-10H2,2H3.
What are the key properties of 2-[3-(2-chloro-6-fluorophenyl)propyl]-8-hydroxy-6-methyl-7-methylidene-3,4-dihydro-2,6-naphthyridin-1-one?
2-[3-(2-chloro-6-fluorophenyl)propyl]-8-hydroxy-6-methyl-7-methylidene-3,4-dihydro-2,6-naphthyridin-1-one has a molecular weight of 362.83 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chloro-6-fluorophenyl)propyl]-8-hydroxy-6-methyl-7-methylidene-3,4-dihydro-2,6-naphthyridin-1-one is sourced from PubChem (CID 143003896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).