7-[(3-methoxy-2-pentoxybenzoyl)amino]quinoline-3-carboxylic acid

C23H24N2O5 — CID 22736903

IUPAC7-[(3-methoxy-2-pentoxybenzoyl)amino]quinoline-3-carboxylic acid
SMILESCCCCCOc1c(OC)cccc1C(=O)Nc1ccc2cc(C(=O)O)cnc2c1
InChIInChI=1S/C23H24N2O5/c1-3-4-5-11-30-21-18(7-6-8-20(21)29-2)22(26)25-17-10-9-15-12-16(23(27)28)14-24-19(15)13-17/h6-10,12-14H,3-5,11H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyKNIBXUYJLYLMFS-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.76
Rot. Bonds9

About 7-[(3-methoxy-2-pentoxybenzoyl)amino]quinoline-3-carboxylic acid

7-[(3-methoxy-2-pentoxybenzoyl)amino]quinoline-3-carboxylic acid (PubChem CID 22736903) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is 7-[(3-methoxy-2-pentoxybenzoyl)amino]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-[(3-methoxy-2-pentoxybenzoyl)amino]quinoline-3-carboxylic acid
PubChem CID22736903
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name7-[(3-methoxy-2-pentoxybenzoyl)amino]quinoline-3-carboxylic acid
SMILESCCCCCOc1c(OC)cccc1C(=O)Nc1ccc2cc(C(=O)O)cnc2c1
InChIInChI=1S/C23H24N2O5/c1-3-4-5-11-30-21-18(7-6-8-20(21)29-2)22(26)25-17-10-9-15-12-16(23(27)28)14-24-19(15)13-17/h6-10,12-14H,3-5,11H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyKNIBXUYJLYLMFS-UHFFFAOYSA-N
XLogP4.76
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-[(3-methoxy-2-pentoxybenzoyl)amino]quinoline-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

Related Compounds

2,4-didecoxy-5-[[[3-[[[2,4-didecoxy-5-[[[3-[[[2,4-didecoxy-5-(naphthalen-2-ylcarbamoyl)benzoyl]amino]carbamoyl]-2-methoxybenzoyl]amino]carbamoyl]benzoyl]amino]carbamoyl]-2-methoxybenzoyl]amino]carbamoyl]-N-naphthalen-2-ylbenzamide
CID 177416344
2-pentoxy-N-[3-(phenylcarbamoyl)phenyl]benzamide
CID 54781200
N-(3,4-dimethylphenyl)-2-pentoxybenzamide
CID 4946489
2-[(3-undecoxyphenyl)carbamoyl]benzoic acid
CID 51001454
2-(difluoromethoxy)-3-methoxy-N-quinolin-3-ylbenzamide
CID 51337639
N-(3-carbamoylphenyl)-2-pentoxybenzamide
CID 26160536
3,5-dimethoxy-4-octadecoxybenzoic acid
CID 70585475
4-hexoxy-3,5-dimethoxybenzoic acid
CID 10265785
methyl 4-[(2-pentoxybenzoyl)amino]benzoate
CID 4946584
2-[4-[(2,3-dioctoxybenzoyl)amino]benzoyl]oxyethyl-diethyl-methylazanium;methanol
CID 154676468
2,3-dimethoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide
CID 42474486
N-(1,3-benzodioxol-5-yl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
CID 91347123

Frequently Asked Questions

What is the IUPAC name of 7-[(3-methoxy-2-pentoxybenzoyl)amino]quinoline-3-carboxylic acid?
The IUPAC name of 7-[(3-methoxy-2-pentoxybenzoyl)amino]quinoline-3-carboxylic acid (CID 22736903) is 7-[(3-methoxy-2-pentoxybenzoyl)amino]quinoline-3-carboxylic acid.
What is the SMILES notation for 7-[(3-methoxy-2-pentoxybenzoyl)amino]quinoline-3-carboxylic acid?
The canonical SMILES for 7-[(3-methoxy-2-pentoxybenzoyl)amino]quinoline-3-carboxylic acid is CCCCCOc1c(OC)cccc1C(=O)Nc1ccc2cc(C(=O)O)cnc2c1.
What is the InChIKey of 7-[(3-methoxy-2-pentoxybenzoyl)amino]quinoline-3-carboxylic acid?
The InChIKey is KNIBXUYJLYLMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-3-4-5-11-30-21-18(7-6-8-20(21)29-2)22(26)25-17-10-9-15-12-16(23(27)28)14-24-19(15)13-17/h6-10,12-14H,3-5,11H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 7-[(3-methoxy-2-pentoxybenzoyl)amino]quinoline-3-carboxylic acid?
7-[(3-methoxy-2-pentoxybenzoyl)amino]quinoline-3-carboxylic acid has a molecular weight of 408.45 g/mol, XLogP of 4.76, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-methoxy-2-pentoxybenzoyl)amino]quinoline-3-carboxylic acid is sourced from PubChem (CID 22736903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).