methyl 3-[2-(naphthalene-2-carbonylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylate

C23H21N3O4 — CID 142671841

IUPACmethyl 3-[2-(naphthalene-2-carbonylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)NC(CCNC(=O)c1ccc3ccccc3c1)C(=O)N2
InChIInChI=1S/C23H21N3O4/c1-30-23(29)17-8-9-18-20(13-17)25-19(22(28)26-18)10-11-24-21(27)16-7-6-14-4-2-3-5-15(14)12-16/h2-9,12-13,19,25H,10-11H2,1H3,(H,24,27)(H,26,28)
InChIKeyUPTKYTIOQHTTEY-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.18
Rot. Bonds5

About methyl 3-[2-(naphthalene-2-carbonylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylate

methyl 3-[2-(naphthalene-2-carbonylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylate (PubChem CID 142671841) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is methyl 3-[2-(naphthalene-2-carbonylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-(naphthalene-2-carbonylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylate
PubChem CID142671841
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Namemethyl 3-[2-(naphthalene-2-carbonylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)NC(CCNC(=O)c1ccc3ccccc3c1)C(=O)N2
InChIInChI=1S/C23H21N3O4/c1-30-23(29)17-8-9-18-20(13-17)25-19(22(28)26-18)10-11-24-21(27)16-7-6-14-4-2-3-5-15(14)12-16/h2-9,12-13,19,25H,10-11H2,1H3,(H,24,27)(H,26,28)
InChIKeyUPTKYTIOQHTTEY-UHFFFAOYSA-N
XLogP3.18
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(naphthalene-2-carbonylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylate?
The IUPAC name of methyl 3-[2-(naphthalene-2-carbonylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylate (CID 142671841) is methyl 3-[2-(naphthalene-2-carbonylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylate.
What is the SMILES notation for methyl 3-[2-(naphthalene-2-carbonylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylate?
The canonical SMILES for methyl 3-[2-(naphthalene-2-carbonylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylate is COC(=O)c1ccc2c(c1)NC(CCNC(=O)c1ccc3ccccc3c1)C(=O)N2.
What is the InChIKey of methyl 3-[2-(naphthalene-2-carbonylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylate?
The InChIKey is UPTKYTIOQHTTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-30-23(29)17-8-9-18-20(13-17)25-19(22(28)26-18)10-11-24-21(27)16-7-6-14-4-2-3-5-15(14)12-16/h2-9,12-13,19,25H,10-11H2,1H3,(H,24,27)(H,26,28).
What are the key properties of methyl 3-[2-(naphthalene-2-carbonylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylate?
methyl 3-[2-(naphthalene-2-carbonylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylate has a molecular weight of 403.44 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(naphthalene-2-carbonylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylate is sourced from PubChem (CID 142671841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).