1-[(4-chlorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide

C24H28ClN3O2 — CID 43996348

IUPAC1-[(4-chlorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCCCCCCCNC(=O)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C24H28ClN3O2/c1-2-3-4-5-6-7-14-27-23(29)21-16-19-9-8-15-26-22(19)28(24(21)30)17-18-10-12-20(25)13-11-18/h8-13,15-16H,2-7,14,17H2,1H3,(H,27,29)
InChIKeyMFQINDPXHLEEGJ-UHFFFAOYSA-N
MW425.96 g/mol
LogP5.19
Rot. Bonds10

About 1-[(4-chlorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide

1-[(4-chlorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 43996348) has the molecular formula C24H28ClN3O2 and a molecular weight of 425.96 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID43996348
Molecular FormulaC24H28ClN3O2
Molecular Weight425.96 g/mol
Exact Mass425.19
IUPAC Name1-[(4-chlorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCCCCCCCNC(=O)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C24H28ClN3O2/c1-2-3-4-5-6-7-14-27-23(29)21-16-19-9-8-15-26-22(19)28(24(21)30)17-18-10-12-20(25)13-11-18/h8-13,15-16H,2-7,14,17H2,1H3,(H,27,29)
InChIKeyMFQINDPXHLEEGJ-UHFFFAOYSA-N
XLogP5.19
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.96
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621143
1-[(4-chlorophenyl)methyl]-N-[3-(diethylamino)propyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621175
1-[(2-fluorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996215
1-benzyl-2-oxo-N-propyl-1,8-naphthyridine-3-carboxamide
CID 7620085
N-butan-2-yl-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996260
1-[(4-chlorophenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1,8-naphthyridine-3-carboxamide
CID 7621241
1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 18582962
N-(3-ethoxypropyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620423
1-[(4-methylphenyl)methyl]-2-oxo-N-(3-phenylpropyl)-1,8-naphthyridine-3-carboxamide
CID 7620499
N-[3-(dimethylamino)propyl]-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620437
1-benzyl-N-[3-(dimethylamino)propyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620123
1-[(4-chlorophenyl)methyl]-N-cycloheptyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621189

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide (CID 43996348) is 1-[(4-chlorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide is CCCCCCCCNC(=O)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is MFQINDPXHLEEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O2/c1-2-3-4-5-6-7-14-27-23(29)21-16-19-9-8-15-26-22(19)28(24(21)30)17-18-10-12-20(25)13-11-18/h8-13,15-16H,2-7,14,17H2,1H3,(H,27,29).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 425.96 g/mol, XLogP of 5.19, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 43996348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).