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

C23H25N3O5 — CID 54588746

IUPAC4-amino-5-[2-[(3-methoxybenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid
SMILESCOc1cccc(C(=O)NC(C)(C)COc2cccc3nc(C)c(C(=O)O)c(N)c23)c1
InChIInChI=1S/C23H25N3O5/c1-13-18(22(28)29)20(24)19-16(25-13)9-6-10-17(19)31-12-23(2,3)26-21(27)14-7-5-8-15(11-14)30-4/h5-11H,12H2,1-4H3,(H2,24,25)(H,26,27)(H,28,29)
InChIKeyPZJNNFMQZQAFTD-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.42
Rot. Bonds7

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

4-amino-5-[2-[(3-methoxybenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid (PubChem CID 54588746) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is 4-amino-5-[2-[(3-methoxybenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-[2-[(3-methoxybenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid
PubChem CID54588746
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Name4-amino-5-[2-[(3-methoxybenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid
SMILESCOc1cccc(C(=O)NC(C)(C)COc2cccc3nc(C)c(C(=O)O)c(N)c23)c1
InChIInChI=1S/C23H25N3O5/c1-13-18(22(28)29)20(24)19-16(25-13)9-6-10-17(19)31-12-23(2,3)26-21(27)14-7-5-8-15(11-14)30-4/h5-11H,12H2,1-4H3,(H2,24,25)(H,26,27)(H,28,29)
InChIKeyPZJNNFMQZQAFTD-UHFFFAOYSA-N
XLogP3.42
TPSA123.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-5-(2-benzamido-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid
CID 54588745
4-amino-5-[2-[(3-ethoxy-5-methoxybenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid
CID 90070163
4-amino-5-[2-[[3-(2-hydroxyethoxy)-5-methoxybenzoyl]amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid
CID 54588614
4-amino-2-methyl-5-[2-methyl-2-(pyridine-4-carbonylamino)propoxy]quinoline-3-carboxylic acid
CID 56833144
4-amino-2-methyl-5-[2-methyl-2-(2-methylpropanoylamino)propoxy]quinoline-3-carboxylic acid
CID 66745721
4-amino-5-[3-[(3-methoxyphenyl)methylamino]-2,2-dimethyl-3-oxopropoxy]-2-methylquinoline-3-carboxylic acid
CID 54588682
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]-3,5-dimethoxybenzamide
CID 58460338
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-methoxy-2-methylquinoline-3-carboxylic acid
CID 54588453
4-amino-5-[4-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]-4-methylpentyl]-2-methylquinoline-3-carboxylic acid
CID 139421954
4-amino-5-[3-(cyclopropylamino)-2,2-dimethyl-3-oxopropoxy]-2-methylquinoline-3-carboxylic acid
CID 66747375

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[2-[(3-methoxybenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid?
The IUPAC name of 4-amino-5-[2-[(3-methoxybenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid (CID 54588746) is 4-amino-5-[2-[(3-methoxybenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid.
What is the SMILES notation for 4-amino-5-[2-[(3-methoxybenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid?
The canonical SMILES for 4-amino-5-[2-[(3-methoxybenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid is COc1cccc(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-methoxybenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid?
The InChIKey is PZJNNFMQZQAFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-13-18(22(28)29)20(24)19-16(25-13)9-6-10-17(19)31-12-23(2,3)26-21(27)14-7-5-8-15(11-14)30-4/h5-11H,12H2,1-4H3,(H2,24,25)(H,26,27)(H,28,29).
What are the key properties of 4-amino-5-[2-[(3-methoxybenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid?
4-amino-5-[2-[(3-methoxybenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid has a molecular weight of 423.47 g/mol, XLogP of 3.42, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[2-[(3-methoxybenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid is sourced from PubChem (CID 54588746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).