2-benzyl-8-fluoro-1,3,4,10-tetrahydrobenzo[b][1,7]naphthyridin-5-one

C19H17FN2O — CID 10495009

IUPAC2-benzyl-8-fluoro-1,3,4,10-tetrahydrobenzo[b][1,7]naphthyridin-5-one
SMILESO=c1c2c([nH]c3cc(F)ccc13)CN(Cc1ccccc1)CC2
InChIInChI=1S/C19H17FN2O/c20-14-6-7-15-17(10-14)21-18-12-22(9-8-16(18)19(15)23)11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,21,23)
InChIKeyKPKZXECNMKYLAR-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.23
Rot. Bonds2

About 2-benzyl-8-fluoro-1,3,4,10-tetrahydrobenzo[b][1,7]naphthyridin-5-one

2-benzyl-8-fluoro-1,3,4,10-tetrahydrobenzo[b][1,7]naphthyridin-5-one (PubChem CID 10495009) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-benzyl-8-fluoro-1,3,4,10-tetrahydrobenzo[b][1,7]naphthyridin-5-one.

Molecular Properties

Compound Name2-benzyl-8-fluoro-1,3,4,10-tetrahydrobenzo[b][1,7]naphthyridin-5-one
PubChem CID10495009
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC Name2-benzyl-8-fluoro-1,3,4,10-tetrahydrobenzo[b][1,7]naphthyridin-5-one
SMILESO=c1c2c([nH]c3cc(F)ccc13)CN(Cc1ccccc1)CC2
InChIInChI=1S/C19H17FN2O/c20-14-6-7-15-17(10-14)21-18-12-22(9-8-16(18)19(15)23)11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,21,23)
InChIKeyKPKZXECNMKYLAR-UHFFFAOYSA-N
XLogP3.23
TPSA36.10 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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-8-fluoro-1,3,4,10-tetrahydrobenzo[b][1,7]naphthyridin-5-one?
The IUPAC name of 2-benzyl-8-fluoro-1,3,4,10-tetrahydrobenzo[b][1,7]naphthyridin-5-one (CID 10495009) is 2-benzyl-8-fluoro-1,3,4,10-tetrahydrobenzo[b][1,7]naphthyridin-5-one.
What is the SMILES notation for 2-benzyl-8-fluoro-1,3,4,10-tetrahydrobenzo[b][1,7]naphthyridin-5-one?
The canonical SMILES for 2-benzyl-8-fluoro-1,3,4,10-tetrahydrobenzo[b][1,7]naphthyridin-5-one is O=c1c2c([nH]c3cc(F)ccc13)CN(Cc1ccccc1)CC2.
What is the InChIKey of 2-benzyl-8-fluoro-1,3,4,10-tetrahydrobenzo[b][1,7]naphthyridin-5-one?
The InChIKey is KPKZXECNMKYLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O/c20-14-6-7-15-17(10-14)21-18-12-22(9-8-16(18)19(15)23)11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,21,23).
What are the key properties of 2-benzyl-8-fluoro-1,3,4,10-tetrahydrobenzo[b][1,7]naphthyridin-5-one?
2-benzyl-8-fluoro-1,3,4,10-tetrahydrobenzo[b][1,7]naphthyridin-5-one has a molecular weight of 308.36 g/mol, XLogP of 3.23, 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-1,3,4,10-tetrahydrobenzo[b][1,7]naphthyridin-5-one is sourced from PubChem (CID 10495009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).