1-(7-fluoroquinolin-3-yl)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-one

C24H24FN3O — CID 123151596

About 1-(7-fluoroquinolin-3-yl)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-one

1-(7-fluoroquinolin-3-yl)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-one (PubChem CID 123151596) has the molecular formula C24H24FN3O and a molecular weight of 389.47 g/mol. Its IUPAC name is 1-(7-fluoroquinolin-3-yl)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-one.

Molecular Properties

• Compound Name: 1-(7-fluoroquinolin-3-yl)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-one
• PubChem CID: 123151596
• Molecular Formula: C24H24FN3O
• Molecular Weight: 389.47 g/mol
• Exact Mass: 389.19
• IUPAC Name: 1-(7-fluoroquinolin-3-yl)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-one
• SMILES: O=C(C=Cc1cnc2cc(F)ccc2c1)CCCCc1ccc2c(n1)NCCC2
• InChI: InChI=1S/C24H24FN3O/c25-20-10-8-19-14-17(16-27-23(19)15-20)7-12-22(29)6-2-1-5-21-11-9-18-4-3-13-26-24(18)28-21/h7-12,14-16H,1-6,13H2,(H,26,28)
• InChIKey: AWFVWWQFODILHB-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 54.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	389.47
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoroquinolin-3-yl)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-one?

The IUPAC name of 1-(7-fluoroquinolin-3-yl)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-one (CID 123151596) is 1-(7-fluoroquinolin-3-yl)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-one.

What is the SMILES notation for 1-(7-fluoroquinolin-3-yl)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-one?

The canonical SMILES for 1-(7-fluoroquinolin-3-yl)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-one is O=C(C=Cc1cnc2cc(F)ccc2c1)CCCCc1ccc2c(n1)NCCC2.

What is the InChIKey of 1-(7-fluoroquinolin-3-yl)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-one?

The InChIKey is AWFVWWQFODILHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O/c25-20-10-8-19-14-17(16-27-23(19)15-20)7-12-22(29)6-2-1-5-21-11-9-18-4-3-13-26-24(18)28-21/h7-12,14-16H,1-6,13H2,(H,26,28).

What are the key properties of 1-(7-fluoroquinolin-3-yl)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-one?

1-(7-fluoroquinolin-3-yl)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-one has a molecular weight of 389.47 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(7-fluoroquinolin-3-yl)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-one is sourced from PubChem (CID 123151596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).