ethane;ethyl 4-[4-(cyclododecylamino)heptan-2-yl]-3-oxoquinoxaline-2-carboxylate

C32H53N3O3 — CID 143929991

IUPACethane;ethyl 4-[4-(cyclododecylamino)heptan-2-yl]-3-oxoquinoxaline-2-carboxylate
SMILESCC.CCCC(CC(C)n1c(=O)c(C(=O)OCC)nc2ccccc21)NC1CCCCCCCCCCC1
InChIInChI=1S/C30H47N3O3.C2H6/c1-4-17-25(31-24-18-13-11-9-7-6-8-10-12-14-19-24)22-23(3)33-27-21-16-15-20-26(27)32-28(29(33)34)30(35)36-5-2;1-2/h15-16,20-21,23-25,31H,4-14,17-19,22H2,1-3H3;1-2H3
InChIKeyQLXXZQFZZPZDDK-UHFFFAOYSA-N
MW527.79 g/mol
LogP7.98
Rot. Bonds9

About ethane;ethyl 4-[4-(cyclododecylamino)heptan-2-yl]-3-oxoquinoxaline-2-carboxylate

ethane;ethyl 4-[4-(cyclododecylamino)heptan-2-yl]-3-oxoquinoxaline-2-carboxylate (PubChem CID 143929991) has the molecular formula C32H53N3O3 and a molecular weight of 527.79 g/mol. Its IUPAC name is ethane;ethyl 4-[4-(cyclododecylamino)heptan-2-yl]-3-oxoquinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 4-[4-(cyclododecylamino)heptan-2-yl]-3-oxoquinoxaline-2-carboxylate
PubChem CID143929991
Molecular FormulaC32H53N3O3
Molecular Weight527.79 g/mol
Exact Mass527.41
IUPAC Nameethane;ethyl 4-[4-(cyclododecylamino)heptan-2-yl]-3-oxoquinoxaline-2-carboxylate
SMILESCC.CCCC(CC(C)n1c(=O)c(C(=O)OCC)nc2ccccc21)NC1CCCCCCCCCCC1
InChIInChI=1S/C30H47N3O3.C2H6/c1-4-17-25(31-24-18-13-11-9-7-6-8-10-12-14-19-24)22-23(3)33-27-21-16-15-20-26(27)32-28(29(33)34)30(35)36-5-2;1-2/h15-16,20-21,23-25,31H,4-14,17-19,22H2,1-3H3;1-2H3
InChIKeyQLXXZQFZZPZDDK-UHFFFAOYSA-N
XLogP7.98
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.79
LogP ≤ 57.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethane;ethyl 4-[4-(cyclododecylamino)heptan-2-yl]-3-oxoquinoxaline-2-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

ethyl 4-[1-(1-cyclododecylpyrrolidin-2-yl)propan-2-yl]-3-oxoquinoxaline-2-carboxylate
CID 143769609
ethyl 4-(9-cyclononyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-oxoquinoxaline-2-carboxylate
CID 66819528
ethyl 4-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-oxoquinoxaline-2-carboxylate
CID 134250841
sodium;4-[(1R,5S)-8-cyclononyl-8-azabicyclo[3.2.1]octan-3-yl]-3-oxoquinoxaline-2-carboxylic acid;ethyl 4-[(1R,5S)-8-cyclononyl-8-azabicyclo[3.2.1]octan-3-yl]-3-oxoquinoxaline-2-carboxylate;hydroxide
CID 157395332
ethyl 4-[(2R,4R,6R)-5-cyclodecyl-5-azatricyclo[4.2.0.01,4]octan-2-yl]-3-oxoquinoxaline-2-carboxylate
CID 163440211
ethyl 4-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-oxoquinoxaline-2-carboxylate
CID 59450913
4-[(2S)-1-[(2S)-1-cyclooctyl-5-methylpyrrolidin-2-yl]propan-2-yl]-3-oxoquinoxaline-2-carboxylic acid
CID 66827998
ethyl 4-[(1R,5S)-8-[(2Z)-cyclooct-2-en-1-yl]-8-azabicyclo[3.2.1]octan-3-yl]-3-oxoquinoxaline-2-carboxylate
CID 59450922
4-[(2S)-1-[(2S,6S)-1-cyclodecyl-6-methylpiperidin-2-yl]propan-2-yl]-3-oxoquinoxaline-2-carboxylic acid
CID 134250753
ethyl (2R)-3-(benzotriazol-1-yl)-2-cyclohexyl-3-oxopropanoate
CID 28661303
ethyl 2-(2-ethylbenzimidazol-1-yl)pentanoate
CID 83038109
ethyl 2-[4-[(2S)-1-[(2S)-1-[(4-methylidene-2-bicyclo[1.1.1]pentanylidene)methyl]piperidin-2-yl]propan-2-yl]-3-oxoquinoxalin-2-yl]acetate
CID 90268368

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 4-[4-(cyclododecylamino)heptan-2-yl]-3-oxoquinoxaline-2-carboxylate?
The IUPAC name of ethane;ethyl 4-[4-(cyclododecylamino)heptan-2-yl]-3-oxoquinoxaline-2-carboxylate (CID 143929991) is ethane;ethyl 4-[4-(cyclododecylamino)heptan-2-yl]-3-oxoquinoxaline-2-carboxylate.
What is the SMILES notation for ethane;ethyl 4-[4-(cyclododecylamino)heptan-2-yl]-3-oxoquinoxaline-2-carboxylate?
The canonical SMILES for ethane;ethyl 4-[4-(cyclododecylamino)heptan-2-yl]-3-oxoquinoxaline-2-carboxylate is CC.CCCC(CC(C)n1c(=O)c(C(=O)OCC)nc2ccccc21)NC1CCCCCCCCCCC1.
What is the InChIKey of ethane;ethyl 4-[4-(cyclododecylamino)heptan-2-yl]-3-oxoquinoxaline-2-carboxylate?
The InChIKey is QLXXZQFZZPZDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H47N3O3.C2H6/c1-4-17-25(31-24-18-13-11-9-7-6-8-10-12-14-19-24)22-23(3)33-27-21-16-15-20-26(27)32-28(29(33)34)30(35)36-5-2;1-2/h15-16,20-21,23-25,31H,4-14,17-19,22H2,1-3H3;1-2H3.
What are the key properties of ethane;ethyl 4-[4-(cyclododecylamino)heptan-2-yl]-3-oxoquinoxaline-2-carboxylate?
ethane;ethyl 4-[4-(cyclododecylamino)heptan-2-yl]-3-oxoquinoxaline-2-carboxylate has a molecular weight of 527.79 g/mol, XLogP of 7.98, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 4-[4-(cyclododecylamino)heptan-2-yl]-3-oxoquinoxaline-2-carboxylate is sourced from PubChem (CID 143929991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).