1-[2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetyl]azetidine-2-carboxylic acid

C22H19ClN4O5 — CID 71766671

IUPAC1-[2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetyl]azetidine-2-carboxylic acid
SMILESO=C(NCc1ccc(Cl)cc1)c1cc2cccnc2n(CC(=O)N2CCC2C(=O)O)c1=O
InChIInChI=1S/C22H19ClN4O5/c23-15-5-3-13(4-6-15)11-25-20(29)16-10-14-2-1-8-24-19(14)27(21(16)30)12-18(28)26-9-7-17(26)22(31)32/h1-6,8,10,17H,7,9,11-12H2,(H,25,29)(H,31,32)
InChIKeyQDPDHBFKXVOADC-UHFFFAOYSA-N
MW454.87 g/mol
LogP1.67
Rot. Bonds6

About 1-[2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetyl]azetidine-2-carboxylic acid

1-[2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetyl]azetidine-2-carboxylic acid (PubChem CID 71766671) has the molecular formula C22H19ClN4O5 and a molecular weight of 454.87 g/mol. Its IUPAC name is 1-[2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetyl]azetidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetyl]azetidine-2-carboxylic acid
PubChem CID71766671
Molecular FormulaC22H19ClN4O5
Molecular Weight454.87 g/mol
Exact Mass454.10
IUPAC Name1-[2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetyl]azetidine-2-carboxylic acid
SMILESO=C(NCc1ccc(Cl)cc1)c1cc2cccnc2n(CC(=O)N2CCC2C(=O)O)c1=O
InChIInChI=1S/C22H19ClN4O5/c23-15-5-3-13(4-6-15)11-25-20(29)16-10-14-2-1-8-24-19(14)27(21(16)30)12-18(28)26-9-7-17(26)22(31)32/h1-6,8,10,17H,7,9,11-12H2,(H,25,29)(H,31,32)
InChIKeyQDPDHBFKXVOADC-UHFFFAOYSA-N
XLogP1.67
TPSA121.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.87
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetyl]azetidine-2-carboxylic acid?
The IUPAC name of 1-[2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetyl]azetidine-2-carboxylic acid (CID 71766671) is 1-[2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetyl]azetidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetyl]azetidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetyl]azetidine-2-carboxylic acid is O=C(NCc1ccc(Cl)cc1)c1cc2cccnc2n(CC(=O)N2CCC2C(=O)O)c1=O.
What is the InChIKey of 1-[2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetyl]azetidine-2-carboxylic acid?
The InChIKey is QDPDHBFKXVOADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O5/c23-15-5-3-13(4-6-15)11-25-20(29)16-10-14-2-1-8-24-19(14)27(21(16)30)12-18(28)26-9-7-17(26)22(31)32/h1-6,8,10,17H,7,9,11-12H2,(H,25,29)(H,31,32).
What are the key properties of 1-[2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetyl]azetidine-2-carboxylic acid?
1-[2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetyl]azetidine-2-carboxylic acid has a molecular weight of 454.87 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetyl]azetidine-2-carboxylic acid is sourced from PubChem (CID 71766671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).