7-acetyl-2-(3-chloro-4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid

C18H17ClN2O5 — CID 171912393

IUPAC7-acetyl-2-(3-chloro-4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESCOc1ccc(-n2cc3c(c(C(=O)O)c2=O)CCN(C(C)=O)C3)cc1Cl
InChIInChI=1S/C18H17ClN2O5/c1-10(22)20-6-5-13-11(8-20)9-21(17(23)16(13)18(24)25)12-3-4-15(26-2)14(19)7-12/h3-4,7,9H,5-6,8H2,1-2H3,(H,24,25)
InChIKeyUOSAVOIAYSFSJG-UHFFFAOYSA-N
MW376.80 g/mol
LogP2.10
Rot. Bonds3

About 7-acetyl-2-(3-chloro-4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid

7-acetyl-2-(3-chloro-4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (PubChem CID 171912393) has the molecular formula C18H17ClN2O5 and a molecular weight of 376.80 g/mol. Its IUPAC name is 7-acetyl-2-(3-chloro-4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.

Molecular Properties

Compound Name7-acetyl-2-(3-chloro-4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
PubChem CID171912393
Molecular FormulaC18H17ClN2O5
Molecular Weight376.80 g/mol
Exact Mass376.08
IUPAC Name7-acetyl-2-(3-chloro-4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESCOc1ccc(-n2cc3c(c(C(=O)O)c2=O)CCN(C(C)=O)C3)cc1Cl
InChIInChI=1S/C18H17ClN2O5/c1-10(22)20-6-5-13-11(8-20)9-21(17(23)16(13)18(24)25)12-3-4-15(26-2)14(19)7-12/h3-4,7,9H,5-6,8H2,1-2H3,(H,24,25)
InChIKeyUOSAVOIAYSFSJG-UHFFFAOYSA-N
XLogP2.10
TPSA88.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-acetyl-2-(3-chloro-4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The IUPAC name of 7-acetyl-2-(3-chloro-4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (CID 171912393) is 7-acetyl-2-(3-chloro-4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.
What is the SMILES notation for 7-acetyl-2-(3-chloro-4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The canonical SMILES for 7-acetyl-2-(3-chloro-4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is COc1ccc(-n2cc3c(c(C(=O)O)c2=O)CCN(C(C)=O)C3)cc1Cl.
What is the InChIKey of 7-acetyl-2-(3-chloro-4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The InChIKey is UOSAVOIAYSFSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O5/c1-10(22)20-6-5-13-11(8-20)9-21(17(23)16(13)18(24)25)12-3-4-15(26-2)14(19)7-12/h3-4,7,9H,5-6,8H2,1-2H3,(H,24,25).
What are the key properties of 7-acetyl-2-(3-chloro-4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
7-acetyl-2-(3-chloro-4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid has a molecular weight of 376.80 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-2-(3-chloro-4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is sourced from PubChem (CID 171912393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).