4-(2-tert-butylanilino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid

C24H24N4O3 — CID 71695581

IUPAC4-(2-tert-butylanilino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1noc(C)c1-c1ccc2c(Nc3ccccc3C(C)(C)C)c(C(=O)O)cnc2n1
InChIInChI=1S/C24H24N4O3/c1-13-20(14(2)31-28-13)19-11-10-15-21(16(23(29)30)12-25-22(15)27-19)26-18-9-7-6-8-17(18)24(3,4)5/h6-12H,1-5H3,(H,29,30)(H,25,26,27)
InChIKeyPTXRSHPWCLHNBN-UHFFFAOYSA-N
MW416.48 g/mol
LogP5.64
Rot. Bonds4

About 4-(2-tert-butylanilino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid

4-(2-tert-butylanilino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 71695581) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 4-(2-tert-butylanilino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-tert-butylanilino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID71695581
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name4-(2-tert-butylanilino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1noc(C)c1-c1ccc2c(Nc3ccccc3C(C)(C)C)c(C(=O)O)cnc2n1
InChIInChI=1S/C24H24N4O3/c1-13-20(14(2)31-28-13)19-11-10-15-21(16(23(29)30)12-25-22(15)27-19)26-18-9-7-6-8-17(18)24(3,4)5/h6-12H,1-5H3,(H,29,30)(H,25,26,27)
InChIKeyPTXRSHPWCLHNBN-UHFFFAOYSA-N
XLogP5.64
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(2-tert-butylanilino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butylanilino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 4-(2-tert-butylanilino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid (CID 71695581) is 4-(2-tert-butylanilino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2-tert-butylanilino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 4-(2-tert-butylanilino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid is Cc1noc(C)c1-c1ccc2c(Nc3ccccc3C(C)(C)C)c(C(=O)O)cnc2n1.
What is the InChIKey of 4-(2-tert-butylanilino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is PTXRSHPWCLHNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-13-20(14(2)31-28-13)19-11-10-15-21(16(23(29)30)12-25-22(15)27-19)26-18-9-7-6-8-17(18)24(3,4)5/h6-12H,1-5H3,(H,29,30)(H,25,26,27).
What are the key properties of 4-(2-tert-butylanilino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid?
4-(2-tert-butylanilino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 416.48 g/mol, XLogP of 5.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butylanilino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 71695581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).