7-[[2-(difluoromethoxy)phenyl]methyl]-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine

C19H17F2N3O — CID 24731641

IUPAC7-[[2-(difluoromethoxy)phenyl]methyl]-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
SMILESFC(F)Oc1ccccc1CN1CCc2nc3ncccc3cc2C1
InChIInChI=1S/C19H17F2N3O/c20-19(21)25-17-6-2-1-4-14(17)11-24-9-7-16-15(12-24)10-13-5-3-8-22-18(13)23-16/h1-6,8,10,19H,7,9,11-12H2
InChIKeyFAXVMFGYFKLFSC-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.79
Rot. Bonds4

About 7-[[2-(difluoromethoxy)phenyl]methyl]-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine

7-[[2-(difluoromethoxy)phenyl]methyl]-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine (PubChem CID 24731641) has the molecular formula C19H17F2N3O and a molecular weight of 341.36 g/mol. Its IUPAC name is 7-[[2-(difluoromethoxy)phenyl]methyl]-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine.

Molecular Properties

Compound Name7-[[2-(difluoromethoxy)phenyl]methyl]-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
PubChem CID24731641
Molecular FormulaC19H17F2N3O
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name7-[[2-(difluoromethoxy)phenyl]methyl]-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
SMILESFC(F)Oc1ccccc1CN1CCc2nc3ncccc3cc2C1
InChIInChI=1S/C19H17F2N3O/c20-19(21)25-17-6-2-1-4-14(17)11-24-9-7-16-15(12-24)10-13-5-3-8-22-18(13)23-16/h1-6,8,10,19H,7,9,11-12H2
InChIKeyFAXVMFGYFKLFSC-UHFFFAOYSA-N
XLogP3.79
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-(difluoromethoxy)phenyl]methyl]-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine?
The IUPAC name of 7-[[2-(difluoromethoxy)phenyl]methyl]-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine (CID 24731641) is 7-[[2-(difluoromethoxy)phenyl]methyl]-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine.
What is the SMILES notation for 7-[[2-(difluoromethoxy)phenyl]methyl]-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine?
The canonical SMILES for 7-[[2-(difluoromethoxy)phenyl]methyl]-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine is FC(F)Oc1ccccc1CN1CCc2nc3ncccc3cc2C1.
What is the InChIKey of 7-[[2-(difluoromethoxy)phenyl]methyl]-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine?
The InChIKey is FAXVMFGYFKLFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O/c20-19(21)25-17-6-2-1-4-14(17)11-24-9-7-16-15(12-24)10-13-5-3-8-22-18(13)23-16/h1-6,8,10,19H,7,9,11-12H2.
What are the key properties of 7-[[2-(difluoromethoxy)phenyl]methyl]-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine?
7-[[2-(difluoromethoxy)phenyl]methyl]-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine has a molecular weight of 341.36 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(difluoromethoxy)phenyl]methyl]-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine is sourced from PubChem (CID 24731641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).