6-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one

C21H23FN4O — CID 25097027

IUPAC6-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one
SMILESCN1CCC(N(c2nc3cc[nH]c(=O)c3c3cc(F)ccc23)C2CC2)CC1
InChIInChI=1S/C21H23FN4O/c1-25-10-7-15(8-11-25)26(14-3-4-14)20-16-5-2-13(22)12-17(16)19-18(24-20)6-9-23-21(19)27/h2,5-6,9,12,14-15H,3-4,7-8,10-11H2,1H3,(H,23,27)
InChIKeyDKLHZNZQFYSDTE-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.28
Rot. Bonds3

About 6-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one

6-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one (PubChem CID 25097027) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 6-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one.

Molecular Properties

Compound Name6-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one
PubChem CID25097027
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name6-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one
SMILESCN1CCC(N(c2nc3cc[nH]c(=O)c3c3cc(F)ccc23)C2CC2)CC1
InChIInChI=1S/C21H23FN4O/c1-25-10-7-15(8-11-25)26(14-3-4-14)20-16-5-2-13(22)12-17(16)19-18(24-20)6-9-23-21(19)27/h2,5-6,9,12,14-15H,3-4,7-8,10-11H2,1H3,(H,23,27)
InChIKeyDKLHZNZQFYSDTE-UHFFFAOYSA-N
XLogP3.28
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one?
The IUPAC name of 6-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one (CID 25097027) is 6-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one.
What is the SMILES notation for 6-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one?
The canonical SMILES for 6-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one is CN1CCC(N(c2nc3cc[nH]c(=O)c3c3cc(F)ccc23)C2CC2)CC1.
What is the InChIKey of 6-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one?
The InChIKey is DKLHZNZQFYSDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-25-10-7-15(8-11-25)26(14-3-4-14)20-16-5-2-13(22)12-17(16)19-18(24-20)6-9-23-21(19)27/h2,5-6,9,12,14-15H,3-4,7-8,10-11H2,1H3,(H,23,27).
What are the key properties of 6-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one?
6-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one has a molecular weight of 366.44 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one is sourced from PubChem (CID 25097027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).