9-[(3-fluorophenyl)methylamino]-5H-benzo[c][1,8]naphthyridin-6-one

C19H14FN3O — CID 58167977

IUPAC9-[(3-fluorophenyl)methylamino]-5H-benzo[c][1,8]naphthyridin-6-one
SMILESO=c1[nH]c2ncccc2c2cc(NCc3cccc(F)c3)ccc12
InChIInChI=1S/C19H14FN3O/c20-13-4-1-3-12(9-13)11-22-14-6-7-16-17(10-14)15-5-2-8-21-18(15)23-19(16)24/h1-10,22H,11H2,(H,21,23,24)
InChIKeyBYZSJLROPVWTPE-UHFFFAOYSA-N
MW319.34 g/mol
LogP3.83
Rot. Bonds3

About 9-[(3-fluorophenyl)methylamino]-5H-benzo[c][1,8]naphthyridin-6-one

9-[(3-fluorophenyl)methylamino]-5H-benzo[c][1,8]naphthyridin-6-one (PubChem CID 58167977) has the molecular formula C19H14FN3O and a molecular weight of 319.34 g/mol. Its IUPAC name is 9-[(3-fluorophenyl)methylamino]-5H-benzo[c][1,8]naphthyridin-6-one.

Molecular Properties

Compound Name9-[(3-fluorophenyl)methylamino]-5H-benzo[c][1,8]naphthyridin-6-one
PubChem CID58167977
Molecular FormulaC19H14FN3O
Molecular Weight319.34 g/mol
Exact Mass319.11
IUPAC Name9-[(3-fluorophenyl)methylamino]-5H-benzo[c][1,8]naphthyridin-6-one
SMILESO=c1[nH]c2ncccc2c2cc(NCc3cccc(F)c3)ccc12
InChIInChI=1S/C19H14FN3O/c20-13-4-1-3-12(9-13)11-22-14-6-7-16-17(10-14)15-5-2-8-21-18(15)23-19(16)24/h1-10,22H,11H2,(H,21,23,24)
InChIKeyBYZSJLROPVWTPE-UHFFFAOYSA-N
XLogP3.83
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-[[(6-oxo-5H-benzo[c][1,8]naphthyridin-9-yl)amino]methyl]benzoic acid
CID 123253179
4-[[(6-oxo-5H-benzo[c][1,8]naphthyridin-9-yl)amino]methyl]benzoic acid
CID 58167949
6-[(3-fluorophenyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione
CID 43723400
N-[(3-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine
CID 135862898
9-[benzyl(ethyl)amino]-5H-benzo[c][1,8]naphthyridin-6-one
CID 58168355
8-N-[(3-fluorophenyl)methyl]quinoline-5,8-diamine
CID 43450144
9-(2-fluorophenoxy)-5H-benzo[c][1,8]naphthyridin-6-one
CID 58168015
N-[(3-fluorophenyl)methyl]-4-methylaniline
CID 23255338
N-[(3-fluorophenyl)methyl]-3-iodoaniline
CID 28879212
2-N-[(3-fluorophenyl)methyl]-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine
CID 68576188
1-[4-[(3-fluorophenyl)methylamino]phenyl]-3-methylurea
CID 43744329
N-[(3-fluorophenyl)methyl]-2-piperidin-4-ylpyridin-4-amine
CID 95825266

Frequently Asked Questions

What is the IUPAC name of 9-[(3-fluorophenyl)methylamino]-5H-benzo[c][1,8]naphthyridin-6-one?
The IUPAC name of 9-[(3-fluorophenyl)methylamino]-5H-benzo[c][1,8]naphthyridin-6-one (CID 58167977) is 9-[(3-fluorophenyl)methylamino]-5H-benzo[c][1,8]naphthyridin-6-one.
What is the SMILES notation for 9-[(3-fluorophenyl)methylamino]-5H-benzo[c][1,8]naphthyridin-6-one?
The canonical SMILES for 9-[(3-fluorophenyl)methylamino]-5H-benzo[c][1,8]naphthyridin-6-one is O=c1[nH]c2ncccc2c2cc(NCc3cccc(F)c3)ccc12.
What is the InChIKey of 9-[(3-fluorophenyl)methylamino]-5H-benzo[c][1,8]naphthyridin-6-one?
The InChIKey is BYZSJLROPVWTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O/c20-13-4-1-3-12(9-13)11-22-14-6-7-16-17(10-14)15-5-2-8-21-18(15)23-19(16)24/h1-10,22H,11H2,(H,21,23,24).
What are the key properties of 9-[(3-fluorophenyl)methylamino]-5H-benzo[c][1,8]naphthyridin-6-one?
9-[(3-fluorophenyl)methylamino]-5H-benzo[c][1,8]naphthyridin-6-one has a molecular weight of 319.34 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-fluorophenyl)methylamino]-5H-benzo[c][1,8]naphthyridin-6-one is sourced from PubChem (CID 58167977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).