4-amino-5-[2-[[3-(2-hydroxyethoxy)-5-methoxybenzoyl]amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid

C25H29N3O7 — CID 54588614

IUPAC4-amino-5-[2-[[3-(2-hydroxyethoxy)-5-methoxybenzoyl]amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid
SMILESCOc1cc(OCCO)cc(C(=O)NC(C)(C)COc2cccc3nc(C)c(C(=O)O)c(N)c23)c1
InChIInChI=1S/C25H29N3O7/c1-14-20(24(31)32)22(26)21-18(27-14)6-5-7-19(21)35-13-25(2,3)28-23(30)15-10-16(33-4)12-17(11-15)34-9-8-29/h5-7,10-12,29H,8-9,13H2,1-4H3,(H2,26,27)(H,28,30)(H,31,32)
InChIKeyGLWJOJYZCWSCHW-UHFFFAOYSA-N
MW483.52 g/mol
LogP2.79
Rot. Bonds10

About 4-amino-5-[2-[[3-(2-hydroxyethoxy)-5-methoxybenzoyl]amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid

4-amino-5-[2-[[3-(2-hydroxyethoxy)-5-methoxybenzoyl]amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid (PubChem CID 54588614) has the molecular formula C25H29N3O7 and a molecular weight of 483.52 g/mol. Its IUPAC name is 4-amino-5-[2-[[3-(2-hydroxyethoxy)-5-methoxybenzoyl]amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-[2-[[3-(2-hydroxyethoxy)-5-methoxybenzoyl]amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid
PubChem CID54588614
Molecular FormulaC25H29N3O7
Molecular Weight483.52 g/mol
Exact Mass483.20
IUPAC Name4-amino-5-[2-[[3-(2-hydroxyethoxy)-5-methoxybenzoyl]amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid
SMILESCOc1cc(OCCO)cc(C(=O)NC(C)(C)COc2cccc3nc(C)c(C(=O)O)c(N)c23)c1
InChIInChI=1S/C25H29N3O7/c1-14-20(24(31)32)22(26)21-18(27-14)6-5-7-19(21)35-13-25(2,3)28-23(30)15-10-16(33-4)12-17(11-15)34-9-8-29/h5-7,10-12,29H,8-9,13H2,1-4H3,(H2,26,27)(H,28,30)(H,31,32)
InChIKeyGLWJOJYZCWSCHW-UHFFFAOYSA-N
XLogP2.79
TPSA153.23 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 52.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-amino-5-[2-[[3-(2-hydroxyethoxy)-5-methoxybenzoyl]amino]-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-5-[2-[(3-ethoxy-5-methoxybenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid
CID 90070163
4-amino-5-[2-[(3-methoxybenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid
CID 54588746
N-[1-(4-amino-2-methyl-3-propan-2-ylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-5-methoxybenzamide
CID 163609241
4-amino-5-(2-benzamido-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid
CID 54588745
4-amino-2-methyl-5-[2-methyl-2-(pyridine-4-carbonylamino)propoxy]quinoline-3-carboxylic acid
CID 56833144
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3,5-dimethoxybenzamide
CID 58460338
4-amino-2-methyl-5-[2-methyl-2-(2-methylpropanoylamino)propoxy]quinoline-3-carboxylic acid
CID 66745721
4-amino-5-[4-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]-4-methylpentyl]-2-methylquinoline-3-carboxylic acid
CID 139421954
4-amino-5-[2-(cyclopropanecarbonylamino)-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid
CID 90070133
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 58460319
4-amino-5-[3-[(3-methoxyphenyl)methylamino]-2,2-dimethyl-3-oxopropoxy]-2-methylquinoline-3-carboxylic acid
CID 54588682
4-amino-5-methoxy-2-methylquinoline-3-carboxylic acid
CID 54588453

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[2-[[3-(2-hydroxyethoxy)-5-methoxybenzoyl]amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid?
The IUPAC name of 4-amino-5-[2-[[3-(2-hydroxyethoxy)-5-methoxybenzoyl]amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid (CID 54588614) is 4-amino-5-[2-[[3-(2-hydroxyethoxy)-5-methoxybenzoyl]amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid.
What is the SMILES notation for 4-amino-5-[2-[[3-(2-hydroxyethoxy)-5-methoxybenzoyl]amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid?
The canonical SMILES for 4-amino-5-[2-[[3-(2-hydroxyethoxy)-5-methoxybenzoyl]amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid is COc1cc(OCCO)cc(C(=O)NC(C)(C)COc2cccc3nc(C)c(C(=O)O)c(N)c23)c1.
What is the InChIKey of 4-amino-5-[2-[[3-(2-hydroxyethoxy)-5-methoxybenzoyl]amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid?
The InChIKey is GLWJOJYZCWSCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O7/c1-14-20(24(31)32)22(26)21-18(27-14)6-5-7-19(21)35-13-25(2,3)28-23(30)15-10-16(33-4)12-17(11-15)34-9-8-29/h5-7,10-12,29H,8-9,13H2,1-4H3,(H2,26,27)(H,28,30)(H,31,32).
What are the key properties of 4-amino-5-[2-[[3-(2-hydroxyethoxy)-5-methoxybenzoyl]amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid?
4-amino-5-[2-[[3-(2-hydroxyethoxy)-5-methoxybenzoyl]amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid has a molecular weight of 483.52 g/mol, XLogP of 2.79, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[2-[[3-(2-hydroxyethoxy)-5-methoxybenzoyl]amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid is sourced from PubChem (CID 54588614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).