7-benzyl-1-(cyclopropylmethyl)-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylic acid

C20H18N2O4 — CID 141129400

IUPAC7-benzyl-1-(cyclopropylmethyl)-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1c(O)c2ncc(Cc3ccccc3)cc2n(CC2CC2)c1=O
InChIInChI=1S/C20H18N2O4/c23-18-16(20(25)26)19(24)22(11-13-6-7-13)15-9-14(10-21-17(15)18)8-12-4-2-1-3-5-12/h1-5,9-10,13,23H,6-8,11H2,(H,25,26)
InChIKeyZJWUXRTYTCPGCS-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.80
Rot. Bonds5

About 7-benzyl-1-(cyclopropylmethyl)-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylic acid

7-benzyl-1-(cyclopropylmethyl)-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylic acid (PubChem CID 141129400) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 7-benzyl-1-(cyclopropylmethyl)-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-benzyl-1-(cyclopropylmethyl)-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylic acid
PubChem CID141129400
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name7-benzyl-1-(cyclopropylmethyl)-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1c(O)c2ncc(Cc3ccccc3)cc2n(CC2CC2)c1=O
InChIInChI=1S/C20H18N2O4/c23-18-16(20(25)26)19(24)22(11-13-6-7-13)15-9-14(10-21-17(15)18)8-12-4-2-1-3-5-12/h1-5,9-10,13,23H,6-8,11H2,(H,25,26)
InChIKeyZJWUXRTYTCPGCS-UHFFFAOYSA-N
XLogP2.80
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-1-(cyclopropylmethyl)-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-benzyl-1-(cyclopropylmethyl)-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylic acid (CID 141129400) is 7-benzyl-1-(cyclopropylmethyl)-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-benzyl-1-(cyclopropylmethyl)-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-benzyl-1-(cyclopropylmethyl)-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylic acid is O=C(O)c1c(O)c2ncc(Cc3ccccc3)cc2n(CC2CC2)c1=O.
What is the InChIKey of 7-benzyl-1-(cyclopropylmethyl)-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylic acid?
The InChIKey is ZJWUXRTYTCPGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-18-16(20(25)26)19(24)22(11-13-6-7-13)15-9-14(10-21-17(15)18)8-12-4-2-1-3-5-12/h1-5,9-10,13,23H,6-8,11H2,(H,25,26).
What are the key properties of 7-benzyl-1-(cyclopropylmethyl)-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylic acid?
7-benzyl-1-(cyclopropylmethyl)-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylic acid has a molecular weight of 350.37 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-1-(cyclopropylmethyl)-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 141129400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).