5-chloro-2-[(1,6-naphthyridine-8-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid

C19H12ClN3O4 — CID 164866457

IUPAC5-chloro-2-[(1,6-naphthyridine-8-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid
SMILESO=C(NCc1cc2cc(Cl)cc(C(=O)O)c2o1)c1cncc2cccnc12
InChIInChI=1S/C19H12ClN3O4/c20-12-4-11-5-13(27-17(11)14(6-12)19(25)26)8-23-18(24)15-9-21-7-10-2-1-3-22-16(10)15/h1-7,9H,8H2,(H,23,24)(H,25,26)
InChIKeyULIMXARMEIZWAX-UHFFFAOYSA-N
MW381.78 g/mol
LogP3.66
Rot. Bonds4

About 5-chloro-2-[(1,6-naphthyridine-8-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid

5-chloro-2-[(1,6-naphthyridine-8-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid (PubChem CID 164866457) has the molecular formula C19H12ClN3O4 and a molecular weight of 381.78 g/mol. Its IUPAC name is 5-chloro-2-[(1,6-naphthyridine-8-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[(1,6-naphthyridine-8-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid
PubChem CID164866457
Molecular FormulaC19H12ClN3O4
Molecular Weight381.78 g/mol
Exact Mass381.05
IUPAC Name5-chloro-2-[(1,6-naphthyridine-8-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid
SMILESO=C(NCc1cc2cc(Cl)cc(C(=O)O)c2o1)c1cncc2cccnc12
InChIInChI=1S/C19H12ClN3O4/c20-12-4-11-5-13(27-17(11)14(6-12)19(25)26)8-23-18(24)15-9-21-7-10-2-1-3-22-16(10)15/h1-7,9H,8H2,(H,23,24)(H,25,26)
InChIKeyULIMXARMEIZWAX-UHFFFAOYSA-N
XLogP3.66
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.78
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(1,6-naphthyridine-8-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid?
The IUPAC name of 5-chloro-2-[(1,6-naphthyridine-8-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid (CID 164866457) is 5-chloro-2-[(1,6-naphthyridine-8-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[(1,6-naphthyridine-8-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid?
The canonical SMILES for 5-chloro-2-[(1,6-naphthyridine-8-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid is O=C(NCc1cc2cc(Cl)cc(C(=O)O)c2o1)c1cncc2cccnc12.
What is the InChIKey of 5-chloro-2-[(1,6-naphthyridine-8-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid?
The InChIKey is ULIMXARMEIZWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O4/c20-12-4-11-5-13(27-17(11)14(6-12)19(25)26)8-23-18(24)15-9-21-7-10-2-1-3-22-16(10)15/h1-7,9H,8H2,(H,23,24)(H,25,26).
What are the key properties of 5-chloro-2-[(1,6-naphthyridine-8-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid?
5-chloro-2-[(1,6-naphthyridine-8-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid has a molecular weight of 381.78 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(1,6-naphthyridine-8-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid is sourced from PubChem (CID 164866457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).