6-chloro-N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

C23H24ClN3O4 — CID 69218854

IUPAC6-chloro-N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc(Cn2c(=O)c(C(=O)NC3CCCCC3)c(O)c3cc(Cl)cnc32)cc1
InChIInChI=1S/C23H24ClN3O4/c1-31-17-9-7-14(8-10-17)13-27-21-18(11-15(24)12-25-21)20(28)19(23(27)30)22(29)26-16-5-3-2-4-6-16/h7-12,16,28H,2-6,13H2,1H3,(H,26,29)
InChIKeyZJXYVWIMIREUEL-UHFFFAOYSA-N
MW441.92 g/mol
LogP3.87
Rot. Bonds5

About 6-chloro-N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

6-chloro-N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 69218854) has the molecular formula C23H24ClN3O4 and a molecular weight of 441.92 g/mol. Its IUPAC name is 6-chloro-N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID69218854
Molecular FormulaC23H24ClN3O4
Molecular Weight441.92 g/mol
Exact Mass441.15
IUPAC Name6-chloro-N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc(Cn2c(=O)c(C(=O)NC3CCCCC3)c(O)c3cc(Cl)cnc32)cc1
InChIInChI=1S/C23H24ClN3O4/c1-31-17-9-7-14(8-10-17)13-27-21-18(11-15(24)12-25-21)20(28)19(23(27)30)22(29)26-16-5-3-2-4-6-16/h7-12,16,28H,2-6,13H2,1H3,(H,26,29)
InChIKeyZJXYVWIMIREUEL-UHFFFAOYSA-N
XLogP3.87
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-chloro-N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 69218854) is 6-chloro-N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is COc1ccc(Cn2c(=O)c(C(=O)NC3CCCCC3)c(O)c3cc(Cl)cnc32)cc1.
What is the InChIKey of 6-chloro-N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is ZJXYVWIMIREUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O4/c1-31-17-9-7-14(8-10-17)13-27-21-18(11-15(24)12-25-21)20(28)19(23(27)30)22(29)26-16-5-3-2-4-6-16/h7-12,16,28H,2-6,13H2,1H3,(H,26,29).
What are the key properties of 6-chloro-N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
6-chloro-N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 441.92 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 69218854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).