tert-butyl 6-[4-(4-fluorophenyl)-3-oxobutan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate

C23H27FN2O3 — CID 161108478

IUPACtert-butyl 6-[4-(4-fluorophenyl)-3-oxobutan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
SMILESCC(C(=O)Cc1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)OC(C)(C)C
InChIInChI=1S/C23H27FN2O3/c1-15(21(27)14-16-7-9-17(24)10-8-16)18-11-12-20-19(25-18)6-5-13-26(20)22(28)29-23(2,3)4/h7-12,15H,5-6,13-14H2,1-4H3
InChIKeyMNRKYAYDJXZHFU-UHFFFAOYSA-N
MW398.48 g/mol
LogP4.82
Rot. Bonds4

About tert-butyl 6-[4-(4-fluorophenyl)-3-oxobutan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate

tert-butyl 6-[4-(4-fluorophenyl)-3-oxobutan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate (PubChem CID 161108478) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is tert-butyl 6-[4-(4-fluorophenyl)-3-oxobutan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[4-(4-fluorophenyl)-3-oxobutan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
PubChem CID161108478
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Nametert-butyl 6-[4-(4-fluorophenyl)-3-oxobutan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
SMILESCC(C(=O)Cc1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)OC(C)(C)C
InChIInChI=1S/C23H27FN2O3/c1-15(21(27)14-16-7-9-17(24)10-8-16)18-11-12-20-19(25-18)6-5-13-26(20)22(28)29-23(2,3)4/h7-12,15H,5-6,13-14H2,1-4H3
InChIKeyMNRKYAYDJXZHFU-UHFFFAOYSA-N
XLogP4.82
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 6-[4-(4-fluorophenyl)-3-oxobutan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 6-[4-(4-fluorophenyl)-2-methyl-3-oxobutan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 159885373
2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]propanedioic acid
CID 155390785
tert-butyl 6-[3-[(4-fluorophenyl)carbamoyl]oxetan-3-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 155093209
6-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid
CID 155093205
tert-butyl 6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 14175818
cyclopropyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 162649592
cyclopentyl 6-[1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 142580192
tert-butyl 6-(2-aminopropyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 117469487
tert-butyl 4-[(4-fluorophenyl)methyl]-2,3-dihydroquinoxaline-1-carboxylate
CID 170439481
N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide
CID 142580536
tert-butyl 7-[(2S)-1-aminopropan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 97135982
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl]cyclobutane-1-carboxylic acid
CID 155093194

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[4-(4-fluorophenyl)-3-oxobutan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The IUPAC name of tert-butyl 6-[4-(4-fluorophenyl)-3-oxobutan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate (CID 161108478) is tert-butyl 6-[4-(4-fluorophenyl)-3-oxobutan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 6-[4-(4-fluorophenyl)-3-oxobutan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The canonical SMILES for tert-butyl 6-[4-(4-fluorophenyl)-3-oxobutan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate is CC(C(=O)Cc1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 6-[4-(4-fluorophenyl)-3-oxobutan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The InChIKey is MNRKYAYDJXZHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3/c1-15(21(27)14-16-7-9-17(24)10-8-16)18-11-12-20-19(25-18)6-5-13-26(20)22(28)29-23(2,3)4/h7-12,15H,5-6,13-14H2,1-4H3.
What are the key properties of tert-butyl 6-[4-(4-fluorophenyl)-3-oxobutan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
tert-butyl 6-[4-(4-fluorophenyl)-3-oxobutan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate has a molecular weight of 398.48 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[4-(4-fluorophenyl)-3-oxobutan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate is sourced from PubChem (CID 161108478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).