4-amino-2-methyl-5-[2-methyl-2-(pyridine-4-carbonylamino)propoxy]quinoline-3-carboxylic acid

C21H22N4O4 — CID 56833144

IUPAC4-amino-2-methyl-5-[2-methyl-2-(pyridine-4-carbonylamino)propoxy]quinoline-3-carboxylic acid
SMILESCc1nc2cccc(OCC(C)(C)NC(=O)c3ccncc3)c2c(N)c1C(=O)O
InChIInChI=1S/C21H22N4O4/c1-12-16(20(27)28)18(22)17-14(24-12)5-4-6-15(17)29-11-21(2,3)25-19(26)13-7-9-23-10-8-13/h4-10H,11H2,1-3H3,(H2,22,24)(H,25,26)(H,27,28)
InChIKeyWCIJYMLRNVSNAW-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.81
Rot. Bonds6

About 4-amino-2-methyl-5-[2-methyl-2-(pyridine-4-carbonylamino)propoxy]quinoline-3-carboxylic acid

4-amino-2-methyl-5-[2-methyl-2-(pyridine-4-carbonylamino)propoxy]quinoline-3-carboxylic acid (PubChem CID 56833144) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 4-amino-2-methyl-5-[2-methyl-2-(pyridine-4-carbonylamino)propoxy]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-methyl-5-[2-methyl-2-(pyridine-4-carbonylamino)propoxy]quinoline-3-carboxylic acid
PubChem CID56833144
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name4-amino-2-methyl-5-[2-methyl-2-(pyridine-4-carbonylamino)propoxy]quinoline-3-carboxylic acid
SMILESCc1nc2cccc(OCC(C)(C)NC(=O)c3ccncc3)c2c(N)c1C(=O)O
InChIInChI=1S/C21H22N4O4/c1-12-16(20(27)28)18(22)17-14(24-12)5-4-6-15(17)29-11-21(2,3)25-19(26)13-7-9-23-10-8-13/h4-10H,11H2,1-3H3,(H2,22,24)(H,25,26)(H,27,28)
InChIKeyWCIJYMLRNVSNAW-UHFFFAOYSA-N
XLogP2.81
TPSA127.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.81
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-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
4-amino-5-[3-[(3-methoxyphenyl)methylamino]-2,2-dimethyl-3-oxopropoxy]-2-methylquinoline-3-carboxylic acid
CID 54588682
ethyl 4-amino-5-(2,2-dimethylpropoxy)-2-methylquinoline-3-carboxylate
CID 66745763
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-2-methyl-5-[2-methyl-2-(pyridine-4-carbonylamino)propoxy]quinoline-3-carboxylic acid?
The IUPAC name of 4-amino-2-methyl-5-[2-methyl-2-(pyridine-4-carbonylamino)propoxy]quinoline-3-carboxylic acid (CID 56833144) is 4-amino-2-methyl-5-[2-methyl-2-(pyridine-4-carbonylamino)propoxy]quinoline-3-carboxylic acid.
What is the SMILES notation for 4-amino-2-methyl-5-[2-methyl-2-(pyridine-4-carbonylamino)propoxy]quinoline-3-carboxylic acid?
The canonical SMILES for 4-amino-2-methyl-5-[2-methyl-2-(pyridine-4-carbonylamino)propoxy]quinoline-3-carboxylic acid is Cc1nc2cccc(OCC(C)(C)NC(=O)c3ccncc3)c2c(N)c1C(=O)O.
What is the InChIKey of 4-amino-2-methyl-5-[2-methyl-2-(pyridine-4-carbonylamino)propoxy]quinoline-3-carboxylic acid?
The InChIKey is WCIJYMLRNVSNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-12-16(20(27)28)18(22)17-14(24-12)5-4-6-15(17)29-11-21(2,3)25-19(26)13-7-9-23-10-8-13/h4-10H,11H2,1-3H3,(H2,22,24)(H,25,26)(H,27,28).
What are the key properties of 4-amino-2-methyl-5-[2-methyl-2-(pyridine-4-carbonylamino)propoxy]quinoline-3-carboxylic acid?
4-amino-2-methyl-5-[2-methyl-2-(pyridine-4-carbonylamino)propoxy]quinoline-3-carboxylic acid has a molecular weight of 394.43 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-5-[2-methyl-2-(pyridine-4-carbonylamino)propoxy]quinoline-3-carboxylic acid is sourced from PubChem (CID 56833144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).