4-amino-2-ethyl-5-[3-(ethylamino)-2,2-dimethyl-3-oxopropoxy]quinoline-3-carboxylic acid

C19H25N3O4 — CID 54588414

IUPAC4-amino-2-ethyl-5-[3-(ethylamino)-2,2-dimethyl-3-oxopropoxy]quinoline-3-carboxylic acid
SMILESCCNC(=O)C(C)(C)COc1cccc2nc(CC)c(C(=O)O)c(N)c12
InChIInChI=1S/C19H25N3O4/c1-5-11-15(17(23)24)16(20)14-12(22-11)8-7-9-13(14)26-10-19(3,4)18(25)21-6-2/h7-9H,5-6,10H2,1-4H3,(H2,20,22)(H,21,25)(H,23,24)
InChIKeyHFZUZROGRXTTKT-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.62
Rot. Bonds7

About 4-amino-2-ethyl-5-[3-(ethylamino)-2,2-dimethyl-3-oxopropoxy]quinoline-3-carboxylic acid

4-amino-2-ethyl-5-[3-(ethylamino)-2,2-dimethyl-3-oxopropoxy]quinoline-3-carboxylic acid (PubChem CID 54588414) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-amino-2-ethyl-5-[3-(ethylamino)-2,2-dimethyl-3-oxopropoxy]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-ethyl-5-[3-(ethylamino)-2,2-dimethyl-3-oxopropoxy]quinoline-3-carboxylic acid
PubChem CID54588414
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name4-amino-2-ethyl-5-[3-(ethylamino)-2,2-dimethyl-3-oxopropoxy]quinoline-3-carboxylic acid
SMILESCCNC(=O)C(C)(C)COc1cccc2nc(CC)c(C(=O)O)c(N)c12
InChIInChI=1S/C19H25N3O4/c1-5-11-15(17(23)24)16(20)14-12(22-11)8-7-9-13(14)26-10-19(3,4)18(25)21-6-2/h7-9H,5-6,10H2,1-4H3,(H2,20,22)(H,21,25)(H,23,24)
InChIKeyHFZUZROGRXTTKT-UHFFFAOYSA-N
XLogP2.62
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-amino-2-ethyl-5-[3-(ethylamino)-2,2-dimethyl-3-oxopropoxy]quinoline-3-carboxylic acid with MolForge

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Related Compounds

3-(4-amino-3-ethoxycarbonyl-2-methylquinolin-5-yl)oxy-2,2-dimethylpropanoic acid;ethyl 4-amino-5-[3-(ethylamino)-2,2-dimethyl-3-oxopropoxy]-2-methylquinoline-3-carboxylate
CID 159969175
4-amino-5-[3-(2-iodopropylamino)-2,2-dimethyl-3-oxopropoxy]-2-methylquinoline-3-carboxylic acid
CID 147635598
4-amino-5-[3-(cyclopropylamino)-2,2-dimethyl-3-oxopropoxy]-2-methylquinoline-3-carboxylic acid
CID 66747375
4-amino-5-[3-[(3-methoxyphenyl)methylamino]-2,2-dimethyl-3-oxopropoxy]-2-methylquinoline-3-carboxylic acid
CID 54588682
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-(2-benzamido-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid
CID 54588745
ethyl 4-amino-5-(2,2-dimethylpropoxy)-2-methylquinoline-3-carboxylate
CID 66745763
4-amino-5-[2-(cyclopropanecarbonylamino)-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid
CID 90070133
3-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-N-propan-2-ylpropanamide
CID 122414021
4-amino-5-[2-[(3-methoxybenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid
CID 54588746
4-amino-5-[2-[(3-ethoxy-5-methoxybenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid
CID 90070163

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-ethyl-5-[3-(ethylamino)-2,2-dimethyl-3-oxopropoxy]quinoline-3-carboxylic acid?
The IUPAC name of 4-amino-2-ethyl-5-[3-(ethylamino)-2,2-dimethyl-3-oxopropoxy]quinoline-3-carboxylic acid (CID 54588414) is 4-amino-2-ethyl-5-[3-(ethylamino)-2,2-dimethyl-3-oxopropoxy]quinoline-3-carboxylic acid.
What is the SMILES notation for 4-amino-2-ethyl-5-[3-(ethylamino)-2,2-dimethyl-3-oxopropoxy]quinoline-3-carboxylic acid?
The canonical SMILES for 4-amino-2-ethyl-5-[3-(ethylamino)-2,2-dimethyl-3-oxopropoxy]quinoline-3-carboxylic acid is CCNC(=O)C(C)(C)COc1cccc2nc(CC)c(C(=O)O)c(N)c12.
What is the InChIKey of 4-amino-2-ethyl-5-[3-(ethylamino)-2,2-dimethyl-3-oxopropoxy]quinoline-3-carboxylic acid?
The InChIKey is HFZUZROGRXTTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-5-11-15(17(23)24)16(20)14-12(22-11)8-7-9-13(14)26-10-19(3,4)18(25)21-6-2/h7-9H,5-6,10H2,1-4H3,(H2,20,22)(H,21,25)(H,23,24).
What are the key properties of 4-amino-2-ethyl-5-[3-(ethylamino)-2,2-dimethyl-3-oxopropoxy]quinoline-3-carboxylic acid?
4-amino-2-ethyl-5-[3-(ethylamino)-2,2-dimethyl-3-oxopropoxy]quinoline-3-carboxylic acid has a molecular weight of 359.43 g/mol, XLogP of 2.62, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-ethyl-5-[3-(ethylamino)-2,2-dimethyl-3-oxopropoxy]quinoline-3-carboxylic acid is sourced from PubChem (CID 54588414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).