3-amino-4-methoxy-2-methylbenzoic acid;8-methoxy-3-methyl-2-propylquinoline-5-carboxylic acid

C24H28N2O6 — CID 70076252

IUPAC3-amino-4-methoxy-2-methylbenzoic acid;8-methoxy-3-methyl-2-propylquinoline-5-carboxylic acid
SMILESCCCc1nc2c(OC)ccc(C(=O)O)c2cc1C.COc1ccc(C(=O)O)c(C)c1N
InChIInChI=1S/C15H17NO3.C9H11NO3/c1-4-5-12-9(2)8-11-10(15(17)18)6-7-13(19-3)14(11)16-12;1-5-6(9(11)12)3-4-7(13-2)8(5)10/h6-8H,4-5H2,1-3H3,(H,17,18);3-4H,10H2,1-2H3,(H,11,12)
InChIKeyKVZCIWUIYAPTHI-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.49
Rot. Bonds6

About 3-amino-4-methoxy-2-methylbenzoic acid;8-methoxy-3-methyl-2-propylquinoline-5-carboxylic acid

3-amino-4-methoxy-2-methylbenzoic acid;8-methoxy-3-methyl-2-propylquinoline-5-carboxylic acid (PubChem CID 70076252) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is 3-amino-4-methoxy-2-methylbenzoic acid;8-methoxy-3-methyl-2-propylquinoline-5-carboxylic acid.

Molecular Properties

Compound Name3-amino-4-methoxy-2-methylbenzoic acid;8-methoxy-3-methyl-2-propylquinoline-5-carboxylic acid
PubChem CID70076252
Molecular FormulaC24H28N2O6
Molecular Weight440.50 g/mol
Exact Mass440.19
IUPAC Name3-amino-4-methoxy-2-methylbenzoic acid;8-methoxy-3-methyl-2-propylquinoline-5-carboxylic acid
SMILESCCCc1nc2c(OC)ccc(C(=O)O)c2cc1C.COc1ccc(C(=O)O)c(C)c1N
InChIInChI=1S/C15H17NO3.C9H11NO3/c1-4-5-12-9(2)8-11-10(15(17)18)6-7-13(19-3)14(11)16-12;1-5-6(9(11)12)3-4-7(13-2)8(5)10/h6-8H,4-5H2,1-3H3,(H,17,18);3-4H,10H2,1-2H3,(H,11,12)
InChIKeyKVZCIWUIYAPTHI-UHFFFAOYSA-N
XLogP4.49
TPSA131.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-2-methylbenzoic acid;8-methoxy-3-methyl-2-propylquinoline-5-carboxylic acid?
The IUPAC name of 3-amino-4-methoxy-2-methylbenzoic acid;8-methoxy-3-methyl-2-propylquinoline-5-carboxylic acid (CID 70076252) is 3-amino-4-methoxy-2-methylbenzoic acid;8-methoxy-3-methyl-2-propylquinoline-5-carboxylic acid.
What is the SMILES notation for 3-amino-4-methoxy-2-methylbenzoic acid;8-methoxy-3-methyl-2-propylquinoline-5-carboxylic acid?
The canonical SMILES for 3-amino-4-methoxy-2-methylbenzoic acid;8-methoxy-3-methyl-2-propylquinoline-5-carboxylic acid is CCCc1nc2c(OC)ccc(C(=O)O)c2cc1C.COc1ccc(C(=O)O)c(C)c1N.
What is the InChIKey of 3-amino-4-methoxy-2-methylbenzoic acid;8-methoxy-3-methyl-2-propylquinoline-5-carboxylic acid?
The InChIKey is KVZCIWUIYAPTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3.C9H11NO3/c1-4-5-12-9(2)8-11-10(15(17)18)6-7-13(19-3)14(11)16-12;1-5-6(9(11)12)3-4-7(13-2)8(5)10/h6-8H,4-5H2,1-3H3,(H,17,18);3-4H,10H2,1-2H3,(H,11,12).
What are the key properties of 3-amino-4-methoxy-2-methylbenzoic acid;8-methoxy-3-methyl-2-propylquinoline-5-carboxylic acid?
3-amino-4-methoxy-2-methylbenzoic acid;8-methoxy-3-methyl-2-propylquinoline-5-carboxylic acid has a molecular weight of 440.50 g/mol, XLogP of 4.49, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-2-methylbenzoic acid;8-methoxy-3-methyl-2-propylquinoline-5-carboxylic acid is sourced from PubChem (CID 70076252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).