2-benzyl-8-fluoro-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine

C19H19FN2 — CID 10541833

IUPAC2-benzyl-8-fluoro-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine
SMILESFc1ccc2c(c1)NCC1CCN(Cc3ccccc3)C=C21
InChIInChI=1S/C19H19FN2/c20-16-6-7-17-18-13-22(12-14-4-2-1-3-5-14)9-8-15(18)11-21-19(17)10-16/h1-7,10,13,15,21H,8-9,11-12H2
InChIKeyORKGCAFEOUQSHB-UHFFFAOYSA-N
MW294.37 g/mol
LogP4.11
Rot. Bonds2

About 2-benzyl-8-fluoro-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine

2-benzyl-8-fluoro-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine (PubChem CID 10541833) has the molecular formula C19H19FN2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-benzyl-8-fluoro-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine.

Molecular Properties

Compound Name2-benzyl-8-fluoro-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine
PubChem CID10541833
Molecular FormulaC19H19FN2
Molecular Weight294.37 g/mol
Exact Mass294.15
IUPAC Name2-benzyl-8-fluoro-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine
SMILESFc1ccc2c(c1)NCC1CCN(Cc3ccccc3)C=C21
InChIInChI=1S/C19H19FN2/c20-16-6-7-17-18-13-22(12-14-4-2-1-3-5-14)9-8-15(18)11-21-19(17)10-16/h1-7,10,13,15,21H,8-9,11-12H2
InChIKeyORKGCAFEOUQSHB-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-9-chloro-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine
CID 10543026
2-benzyl-9-methoxy-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine
CID 10804604
2-benzyl-9-fluoro-3,4,4a,6-tetrahydrobenzo[c][2,6]naphthyridin-5-one
CID 10733595
7-benzyl-4,4a,5,6-tetrahydro-1H-pyrido[3,4-d]pyrimidine
CID 90980384
1-[(4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 60603464
(4aS,9bS)-2-benzyl-8-fluoro-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole
CID 90669760
(3S)-3-amino-5-benzyl-7-fluoro-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 153379977
1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine
CID 1334692
1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 42479344
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
1-(1-benzylpiperidin-4-yl)-4-[(3-fluorophenyl)methyl]piperazine
CID 1361233
4-[2-(1-benzylpiperidin-4-yl)-4-(4-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]pyridine
CID 70998319

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-8-fluoro-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine?
The IUPAC name of 2-benzyl-8-fluoro-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine (CID 10541833) is 2-benzyl-8-fluoro-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine.
What is the SMILES notation for 2-benzyl-8-fluoro-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine?
The canonical SMILES for 2-benzyl-8-fluoro-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine is Fc1ccc2c(c1)NCC1CCN(Cc3ccccc3)C=C21.
What is the InChIKey of 2-benzyl-8-fluoro-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine?
The InChIKey is ORKGCAFEOUQSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2/c20-16-6-7-17-18-13-22(12-14-4-2-1-3-5-14)9-8-15(18)11-21-19(17)10-16/h1-7,10,13,15,21H,8-9,11-12H2.
What are the key properties of 2-benzyl-8-fluoro-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine?
2-benzyl-8-fluoro-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine has a molecular weight of 294.37 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-8-fluoro-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine is sourced from PubChem (CID 10541833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).