1-[6-(2-chloro-4-methoxyphenoxy)hexyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid

C23H25ClN2O5 — CID 19378809

IUPAC1-[6-(2-chloro-4-methoxyphenoxy)hexyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCOc1ccc(OCCCCCCn2cc(C(=O)O)c(=O)c3ccc(C)nc32)c(Cl)c1
InChIInChI=1S/C23H25ClN2O5/c1-15-7-9-17-21(27)18(23(28)29)14-26(22(17)25-15)11-5-3-4-6-12-31-20-10-8-16(30-2)13-19(20)24/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,28,29)
InChIKeyZAVMEVPOGKAQRU-UHFFFAOYSA-N
MW444.92 g/mol
LogP4.70
Rot. Bonds10

About 1-[6-(2-chloro-4-methoxyphenoxy)hexyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid

1-[6-(2-chloro-4-methoxyphenoxy)hexyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 19378809) has the molecular formula C23H25ClN2O5 and a molecular weight of 444.92 g/mol. Its IUPAC name is 1-[6-(2-chloro-4-methoxyphenoxy)hexyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[6-(2-chloro-4-methoxyphenoxy)hexyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID19378809
Molecular FormulaC23H25ClN2O5
Molecular Weight444.92 g/mol
Exact Mass444.15
IUPAC Name1-[6-(2-chloro-4-methoxyphenoxy)hexyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCOc1ccc(OCCCCCCn2cc(C(=O)O)c(=O)c3ccc(C)nc32)c(Cl)c1
InChIInChI=1S/C23H25ClN2O5/c1-15-7-9-17-21(27)18(23(28)29)14-26(22(17)25-15)11-5-3-4-6-12-31-20-10-8-16(30-2)13-19(20)24/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,28,29)
InChIKeyZAVMEVPOGKAQRU-UHFFFAOYSA-N
XLogP4.70
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.92
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[6-(2-chloro-4-methoxyphenoxy)hexyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenoxy)ethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 5164855
[1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazol-2-yl]methanol
CID 19378825
N-(3-chloro-4-methoxyphenyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929766
1-[6-(2-chloro-4-methoxyphenoxy)hexyl]pyrrolidine
CID 18921937
3-benzoyl-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one
CID 50759361
2-(4-chlorophenoxy)ethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 3499151
2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929843
7-methyl-3-(4-methylbenzoyl)-1-pentyl-1,8-naphthyridin-4-one
CID 22424301
N-(2,5-dimethoxyphenyl)-2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929658
1-[(2,5-dimethylphenyl)methyl]-3-(4-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one
CID 50759431
1-[5-(2-chloro-4-methoxyphenoxy)pentyl]imidazole
CID 18921807
1-[7-(2-chloro-4-methoxyphenoxy)heptyl]imidazole
CID 19378833

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-chloro-4-methoxyphenoxy)hexyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-[6-(2-chloro-4-methoxyphenoxy)hexyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 19378809) is 1-[6-(2-chloro-4-methoxyphenoxy)hexyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1-[6-(2-chloro-4-methoxyphenoxy)hexyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-[6-(2-chloro-4-methoxyphenoxy)hexyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid is COc1ccc(OCCCCCCn2cc(C(=O)O)c(=O)c3ccc(C)nc32)c(Cl)c1.
What is the InChIKey of 1-[6-(2-chloro-4-methoxyphenoxy)hexyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is ZAVMEVPOGKAQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O5/c1-15-7-9-17-21(27)18(23(28)29)14-26(22(17)25-15)11-5-3-4-6-12-31-20-10-8-16(30-2)13-19(20)24/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,28,29).
What are the key properties of 1-[6-(2-chloro-4-methoxyphenoxy)hexyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
1-[6-(2-chloro-4-methoxyphenoxy)hexyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 444.92 g/mol, XLogP of 4.70, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-chloro-4-methoxyphenoxy)hexyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 19378809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).