1-ethyl-N,7-dimethyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide;formic acid

C25H30N4O4 — CID 154915333

About 1-ethyl-N,7-dimethyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide;formic acid

1-ethyl-N,7-dimethyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide;formic acid (PubChem CID 154915333) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is 1-ethyl-N,7-dimethyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide;formic acid.

Molecular Properties

• Compound Name: 1-ethyl-N,7-dimethyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide;formic acid
• PubChem CID: 154915333
• Molecular Formula: C25H30N4O4
• Molecular Weight: 450.54 g/mol
• Exact Mass: 450.23
• IUPAC Name: 1-ethyl-N,7-dimethyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide;formic acid
• SMILES: CCn1cc(C(=O)N(C)CC2Cc3ccccc3CN2C)c(=O)c2ccc(C)nc21.O=CO
• InChI: InChI=1S/C24H28N4O2.CH2O2/c1-5-28-15-21(22(29)20-11-10-16(2)25-23(20)28)24(30)27(4)14-19-12-17-8-6-7-9-18(17)13-26(19)3;2-1-3/h6-11,15,19H,5,12-14H2,1-4H3;1H,(H,2,3)
• InChIKey: BIEHVYZZQMOQRU-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 95.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.54
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
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 1-ethyl-N,7-dimethyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide;formic acid?

The IUPAC name of 1-ethyl-N,7-dimethyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide;formic acid (CID 154915333) is 1-ethyl-N,7-dimethyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide;formic acid.

What is the SMILES notation for 1-ethyl-N,7-dimethyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide;formic acid?

The canonical SMILES for 1-ethyl-N,7-dimethyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide;formic acid is CCn1cc(C(=O)N(C)CC2Cc3ccccc3CN2C)c(=O)c2ccc(C)nc21.O=CO.

What is the InChIKey of 1-ethyl-N,7-dimethyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide;formic acid?

The InChIKey is BIEHVYZZQMOQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2.CH2O2/c1-5-28-15-21(22(29)20-11-10-16(2)25-23(20)28)24(30)27(4)14-19-12-17-8-6-7-9-18(17)13-26(19)3;2-1-3/h6-11,15,19H,5,12-14H2,1-4H3;1H,(H,2,3).

What are the key properties of 1-ethyl-N,7-dimethyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide;formic acid?

1-ethyl-N,7-dimethyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide;formic acid has a molecular weight of 450.54 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-N,7-dimethyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide;formic acid is sourced from PubChem (CID 154915333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).