2-benzyl-9-fluoro-3,4,4a,6-tetrahydrobenzo[c][2,6]naphthyridin-5-one

C19H17FN2O — CID 10733595

IUPAC2-benzyl-9-fluoro-3,4,4a,6-tetrahydrobenzo[c][2,6]naphthyridin-5-one
SMILESO=C1Nc2ccc(F)cc2C2=CN(Cc3ccccc3)CCC12
InChIInChI=1S/C19H17FN2O/c20-14-6-7-18-16(10-14)17-12-22(9-8-15(17)19(23)21-18)11-13-4-2-1-3-5-13/h1-7,10,12,15H,8-9,11H2,(H,21,23)
InChIKeyJQBOCXDYKBJLJO-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.64
Rot. Bonds2

About 2-benzyl-9-fluoro-3,4,4a,6-tetrahydrobenzo[c][2,6]naphthyridin-5-one

2-benzyl-9-fluoro-3,4,4a,6-tetrahydrobenzo[c][2,6]naphthyridin-5-one (PubChem CID 10733595) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-benzyl-9-fluoro-3,4,4a,6-tetrahydrobenzo[c][2,6]naphthyridin-5-one.

Molecular Properties

Compound Name2-benzyl-9-fluoro-3,4,4a,6-tetrahydrobenzo[c][2,6]naphthyridin-5-one
PubChem CID10733595
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC Name2-benzyl-9-fluoro-3,4,4a,6-tetrahydrobenzo[c][2,6]naphthyridin-5-one
SMILESO=C1Nc2ccc(F)cc2C2=CN(Cc3ccccc3)CCC12
InChIInChI=1S/C19H17FN2O/c20-14-6-7-18-16(10-14)17-12-22(9-8-15(17)19(23)21-18)11-13-4-2-1-3-5-13/h1-7,10,12,15H,8-9,11H2,(H,21,23)
InChIKeyJQBOCXDYKBJLJO-UHFFFAOYSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-8-fluoro-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine
CID 10541833
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CID 175687237
3-benzyl-7-fluoro-5-methyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 138007140
2-benzyl-9-chloro-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine
CID 10543026
5-fluoro-3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;dihydrochloride
CID 67837377
3-benzyl-8-fluoro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 54300452
5-benzyl-3-fluoro-8-(4-piperazin-1-ylphenyl)-11H-benzo[b][1,4]benzodiazepin-6-one
CID 155338585
2-benzyl-9-methoxy-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine
CID 10804604
4-benzyl-9-(4-benzyl-12-fluoro-3,6-dioxo-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10(15),11,13-trien-9-yl)-12-fluoro-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10(15),11,13-triene-3,6-dione
CID 85137474
6-fluoro-3-phenyl-3,4-dihydro-1H-quinoxalin-2-one
CID 76519045
(4aS,9bS)-2-benzyl-8-fluoro-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole
CID 90669760
1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine
CID 1334692

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-9-fluoro-3,4,4a,6-tetrahydrobenzo[c][2,6]naphthyridin-5-one?
The IUPAC name of 2-benzyl-9-fluoro-3,4,4a,6-tetrahydrobenzo[c][2,6]naphthyridin-5-one (CID 10733595) is 2-benzyl-9-fluoro-3,4,4a,6-tetrahydrobenzo[c][2,6]naphthyridin-5-one.
What is the SMILES notation for 2-benzyl-9-fluoro-3,4,4a,6-tetrahydrobenzo[c][2,6]naphthyridin-5-one?
The canonical SMILES for 2-benzyl-9-fluoro-3,4,4a,6-tetrahydrobenzo[c][2,6]naphthyridin-5-one is O=C1Nc2ccc(F)cc2C2=CN(Cc3ccccc3)CCC12.
What is the InChIKey of 2-benzyl-9-fluoro-3,4,4a,6-tetrahydrobenzo[c][2,6]naphthyridin-5-one?
The InChIKey is JQBOCXDYKBJLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O/c20-14-6-7-18-16(10-14)17-12-22(9-8-15(17)19(23)21-18)11-13-4-2-1-3-5-13/h1-7,10,12,15H,8-9,11H2,(H,21,23).
What are the key properties of 2-benzyl-9-fluoro-3,4,4a,6-tetrahydrobenzo[c][2,6]naphthyridin-5-one?
2-benzyl-9-fluoro-3,4,4a,6-tetrahydrobenzo[c][2,6]naphthyridin-5-one has a molecular weight of 308.36 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-9-fluoro-3,4,4a,6-tetrahydrobenzo[c][2,6]naphthyridin-5-one is sourced from PubChem (CID 10733595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).