3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one

C27H24FN3O2 — CID 43995973

IUPAC3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
SMILESCc1ccc(Cn2c(=O)c(C(=O)N3c4ccc(F)cc4CCC3C)cc3cccnc32)cc1
InChIInChI=1S/C27H24FN3O2/c1-17-5-8-19(9-6-17)16-30-25-21(4-3-13-29-25)15-23(26(30)32)27(33)31-18(2)7-10-20-14-22(28)11-12-24(20)31/h3-6,8-9,11-15,18H,7,10,16H2,1-2H3
InChIKeyPXUKQDBPMWIYEJ-UHFFFAOYSA-N
MW441.51 g/mol
LogP4.87
Rot. Bonds3

About 3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one

3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one (PubChem CID 43995973) has the molecular formula C27H24FN3O2 and a molecular weight of 441.51 g/mol. Its IUPAC name is 3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
PubChem CID43995973
Molecular FormulaC27H24FN3O2
Molecular Weight441.51 g/mol
Exact Mass441.19
IUPAC Name3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
SMILESCc1ccc(Cn2c(=O)c(C(=O)N3c4ccc(F)cc4CCC3C)cc3cccnc32)cc1
InChIInChI=1S/C27H24FN3O2/c1-17-5-8-19(9-6-17)16-30-25-21(4-3-13-29-25)15-23(26(30)32)27(33)31-18(2)7-10-20-14-22(28)11-12-24(20)31/h3-6,8-9,11-15,18H,7,10,16H2,1-2H3
InChIKeyPXUKQDBPMWIYEJ-UHFFFAOYSA-N
XLogP4.87
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one with MolForge

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Related Compounds

1-ethyl-3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1,8-naphthyridin-2-one
CID 43995845
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 43995972
1-benzyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,8-naphthyridin-2-one
CID 7620216
1-[(4-methylphenyl)methyl]-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one
CID 7620369
3-(2,6-dimethylmorpholine-4-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 43995935
3-(azepane-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 7620362
1-[(4-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620743
3-(2,3-dihydroindole-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one
CID 7620765
3-(4-ethylpiperazin-4-ium-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 7620392
3-(azepane-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one
CID 7620629
methyl 1-[1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-4-carboxylate
CID 7620374
3-[(2S)-2-ethylpiperidine-1-carbonyl]-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 7620373

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one?
The IUPAC name of 3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one (CID 43995973) is 3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one?
The canonical SMILES for 3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one is Cc1ccc(Cn2c(=O)c(C(=O)N3c4ccc(F)cc4CCC3C)cc3cccnc32)cc1.
What is the InChIKey of 3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one?
The InChIKey is PXUKQDBPMWIYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O2/c1-17-5-8-19(9-6-17)16-30-25-21(4-3-13-29-25)15-23(26(30)32)27(33)31-18(2)7-10-20-14-22(28)11-12-24(20)31/h3-6,8-9,11-15,18H,7,10,16H2,1-2H3.
What are the key properties of 3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one?
3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one has a molecular weight of 441.51 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one is sourced from PubChem (CID 43995973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).