N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide

C23H23ClN4O4 — CID 118135937

IUPACN-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CC(=O)N3CC(C)(O)C3)c2n1
InChIInChI=1S/C23H23ClN4O4/c1-14-3-6-16-9-18(21(30)25-10-15-4-7-17(24)8-5-15)22(31)28(20(16)26-14)11-19(29)27-12-23(2,32)13-27/h3-9,32H,10-13H2,1-2H3,(H,25,30)
InChIKeyWMXZTUNXSQRENU-UHFFFAOYSA-N
MW454.91 g/mol
LogP1.88
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide

N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 118135937) has the molecular formula C23H23ClN4O4 and a molecular weight of 454.91 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID118135937
Molecular FormulaC23H23ClN4O4
Molecular Weight454.91 g/mol
Exact Mass454.14
IUPAC NameN-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CC(=O)N3CC(C)(O)C3)c2n1
InChIInChI=1S/C23H23ClN4O4/c1-14-3-6-16-9-18(21(30)25-10-15-4-7-17(24)8-5-15)22(31)28(20(16)26-14)11-19(29)27-12-23(2,32)13-27/h3-9,32H,10-13H2,1-2H3,(H,25,30)
InChIKeyWMXZTUNXSQRENU-UHFFFAOYSA-N
XLogP1.88
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.91
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide (CID 118135937) is N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide is Cc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CC(=O)N3CC(C)(O)C3)c2n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is WMXZTUNXSQRENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O4/c1-14-3-6-16-9-18(21(30)25-10-15-4-7-17(24)8-5-15)22(31)28(20(16)26-14)11-19(29)27-12-23(2,32)13-27/h3-9,32H,10-13H2,1-2H3,(H,25,30).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 454.91 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 118135937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).