7-amino-6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carbaldehyde

C18H15ClFN3O3 — CID 143833022

About 7-amino-6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carbaldehyde

7-amino-6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carbaldehyde (PubChem CID 143833022) has the molecular formula C18H15ClFN3O3 and a molecular weight of 375.79 g/mol. Its IUPAC name is 7-amino-6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: 7-amino-6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carbaldehyde
• PubChem CID: 143833022
• Molecular Formula: C18H15ClFN3O3
• Molecular Weight: 375.79 g/mol
• Exact Mass: 375.08
• IUPAC Name: 7-amino-6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carbaldehyde
• SMILES: Nc1nc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C=O)cn2CCO
• InChI: InChI=1S/C18H15ClFN3O3/c19-14-3-1-2-10(15(14)20)6-11-7-13-16(26)12(9-25)8-23(4-5-24)18(13)22-17(11)21/h1-3,7-9,24H,4-6H2,(H2,21,22)
• InChIKey: FVPJGYHDJXIZBK-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 98.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.79
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carbaldehyde?

The IUPAC name of 7-amino-6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carbaldehyde (CID 143833022) is 7-amino-6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carbaldehyde.

What is the SMILES notation for 7-amino-6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carbaldehyde?

The canonical SMILES for 7-amino-6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carbaldehyde is Nc1nc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C=O)cn2CCO.

What is the InChIKey of 7-amino-6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carbaldehyde?

The InChIKey is FVPJGYHDJXIZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O3/c19-14-3-1-2-10(15(14)20)6-11-7-13-16(26)12(9-25)8-23(4-5-24)18(13)22-17(11)21/h1-3,7-9,24H,4-6H2,(H2,21,22).

What are the key properties of 7-amino-6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carbaldehyde?

7-amino-6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carbaldehyde has a molecular weight of 375.79 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carbaldehyde is sourced from PubChem (CID 143833022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).