ethyl 4-amino-5-(2,2-dimethylpropoxy)-2-methylquinoline-3-carboxylate

C18H24N2O3 — CID 66745763

IUPACethyl 4-amino-5-(2,2-dimethylpropoxy)-2-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2cccc(OCC(C)(C)C)c2c1N
InChIInChI=1S/C18H24N2O3/c1-6-22-17(21)14-11(2)20-12-8-7-9-13(15(12)16(14)19)23-10-18(3,4)5/h7-9H,6,10H2,1-5H3,(H2,19,20)
InChIKeyJBFXIGYQXSNFOV-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.73
Rot. Bonds4

About ethyl 4-amino-5-(2,2-dimethylpropoxy)-2-methylquinoline-3-carboxylate

ethyl 4-amino-5-(2,2-dimethylpropoxy)-2-methylquinoline-3-carboxylate (PubChem CID 66745763) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is ethyl 4-amino-5-(2,2-dimethylpropoxy)-2-methylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-5-(2,2-dimethylpropoxy)-2-methylquinoline-3-carboxylate
PubChem CID66745763
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Nameethyl 4-amino-5-(2,2-dimethylpropoxy)-2-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2cccc(OCC(C)(C)C)c2c1N
InChIInChI=1S/C18H24N2O3/c1-6-22-17(21)14-11(2)20-12-8-7-9-13(15(12)16(14)19)23-10-18(3,4)5/h7-9H,6,10H2,1-5H3,(H2,19,20)
InChIKeyJBFXIGYQXSNFOV-UHFFFAOYSA-N
XLogP3.73
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-amino-5-(2,2-dimethylpropoxy)-2-methylquinoline-3-carboxylate 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

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
ethyl 4-amino-2,5-dimethylquinoline-3-carboxylate
CID 66746516
ethyl 4-amino-5-chloro-2-methylquinoline-3-carboxylate
CID 11780400
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
4-amino-5-[2-(cyclopropanecarbonylamino)-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid
CID 90070133
4-amino-5-[3-(cyclopropylamino)-2,2-dimethyl-3-oxopropoxy]-2-methylquinoline-3-carboxylic acid
CID 66747375
4-amino-2-methyl-5-[2-methyl-2-(pyridine-4-carbonylamino)propoxy]quinoline-3-carboxylic acid
CID 56833144
ethyl 4-amino-5-[3-[[3-(2-hydroxyethoxy)-2-methoxybenzoyl]amino]propoxy]-2-methylquinoline-3-carboxylate
CID 175053743
4-amino-5-[3-(2-iodopropylamino)-2,2-dimethyl-3-oxopropoxy]-2-methylquinoline-3-carboxylic acid
CID 147635598
4-amino-2-methyl-5-(2-propylpentoxy)quinoline-3-carboxylic acid
CID 71815973
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 ethyl 4-amino-5-(2,2-dimethylpropoxy)-2-methylquinoline-3-carboxylate?
The IUPAC name of ethyl 4-amino-5-(2,2-dimethylpropoxy)-2-methylquinoline-3-carboxylate (CID 66745763) is ethyl 4-amino-5-(2,2-dimethylpropoxy)-2-methylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-5-(2,2-dimethylpropoxy)-2-methylquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-amino-5-(2,2-dimethylpropoxy)-2-methylquinoline-3-carboxylate is CCOC(=O)c1c(C)nc2cccc(OCC(C)(C)C)c2c1N.
What is the InChIKey of ethyl 4-amino-5-(2,2-dimethylpropoxy)-2-methylquinoline-3-carboxylate?
The InChIKey is JBFXIGYQXSNFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-6-22-17(21)14-11(2)20-12-8-7-9-13(15(12)16(14)19)23-10-18(3,4)5/h7-9H,6,10H2,1-5H3,(H2,19,20).
What are the key properties of ethyl 4-amino-5-(2,2-dimethylpropoxy)-2-methylquinoline-3-carboxylate?
ethyl 4-amino-5-(2,2-dimethylpropoxy)-2-methylquinoline-3-carboxylate has a molecular weight of 316.40 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-5-(2,2-dimethylpropoxy)-2-methylquinoline-3-carboxylate is sourced from PubChem (CID 66745763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).