4-amino-5-(2-benzamido-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid

C22H23N3O4 — CID 54588745

IUPAC4-amino-5-(2-benzamido-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid
SMILESCc1nc2cccc(OCC(C)(C)NC(=O)c3ccccc3)c2c(N)c1C(=O)O
InChIInChI=1S/C22H23N3O4/c1-13-17(21(27)28)19(23)18-15(24-13)10-7-11-16(18)29-12-22(2,3)25-20(26)14-8-5-4-6-9-14/h4-11H,12H2,1-3H3,(H2,23,24)(H,25,26)(H,27,28)
InChIKeyIMDUFWCVJDTVAP-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.41
Rot. Bonds6

About 4-amino-5-(2-benzamido-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid

4-amino-5-(2-benzamido-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid (PubChem CID 54588745) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 4-amino-5-(2-benzamido-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-(2-benzamido-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid
PubChem CID54588745
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name4-amino-5-(2-benzamido-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid
SMILESCc1nc2cccc(OCC(C)(C)NC(=O)c3ccccc3)c2c(N)c1C(=O)O
InChIInChI=1S/C22H23N3O4/c1-13-17(21(27)28)19(23)18-15(24-13)10-7-11-16(18)29-12-22(2,3)25-20(26)14-8-5-4-6-9-14/h4-11H,12H2,1-3H3,(H2,23,24)(H,25,26)(H,27,28)
InChIKeyIMDUFWCVJDTVAP-UHFFFAOYSA-N
XLogP3.41
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-amino-5-(2-benzamido-2-methylpropoxy)-2-methylquinoline-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

4-amino-2-methyl-5-[2-methyl-2-(pyridine-4-carbonylamino)propoxy]quinoline-3-carboxylic acid
CID 56833144
4-amino-5-[2-[(3-methoxybenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid
CID 54588746
4-amino-2-methyl-5-[2-methyl-2-(2-methylpropanoylamino)propoxy]quinoline-3-carboxylic acid
CID 66745721
4-amino-5-[2-[(3-ethoxy-5-methoxybenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid
CID 90070163
4-amino-5-[2-(cyclopropanecarbonylamino)-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid
CID 90070133
4-amino-5-[2-[[3-(2-hydroxyethoxy)-5-methoxybenzoyl]amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid
CID 54588614
4-amino-5-[3-(cyclopropylamino)-2,2-dimethyl-3-oxopropoxy]-2-methylquinoline-3-carboxylic acid
CID 66747375
4-amino-5-[3-(2-iodopropylamino)-2,2-dimethyl-3-oxopropoxy]-2-methylquinoline-3-carboxylic acid
CID 147635598
4-amino-5-methoxy-2-methylquinoline-3-carboxylic acid
CID 54588453
ethyl 4-amino-5-(2,2-dimethylpropoxy)-2-methylquinoline-3-carboxylate
CID 66745763
4-amino-5-[2-[(3-hydroxybenzoyl)amino]propoxy]-2-methylquinoline-3-carboxylic acid
CID 54588550
4-amino-5-[4-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]-4-methylpentyl]-2-methylquinoline-3-carboxylic acid
CID 139421954

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-benzamido-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid?
The IUPAC name of 4-amino-5-(2-benzamido-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid (CID 54588745) is 4-amino-5-(2-benzamido-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid.
What is the SMILES notation for 4-amino-5-(2-benzamido-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid?
The canonical SMILES for 4-amino-5-(2-benzamido-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid is Cc1nc2cccc(OCC(C)(C)NC(=O)c3ccccc3)c2c(N)c1C(=O)O.
What is the InChIKey of 4-amino-5-(2-benzamido-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid?
The InChIKey is IMDUFWCVJDTVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-13-17(21(27)28)19(23)18-15(24-13)10-7-11-16(18)29-12-22(2,3)25-20(26)14-8-5-4-6-9-14/h4-11H,12H2,1-3H3,(H2,23,24)(H,25,26)(H,27,28).
What are the key properties of 4-amino-5-(2-benzamido-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid?
4-amino-5-(2-benzamido-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid has a molecular weight of 393.44 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-benzamido-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid is sourced from PubChem (CID 54588745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).