methyl 1-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)cyclopropane-1-carboxylate

C17H20N2O3 — CID 118093547

IUPACmethyl 1-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(=O)N2CCN(C3CC3)c3ccccc32)CC1
InChIInChI=1S/C17H20N2O3/c1-22-16(21)17(8-9-17)15(20)19-11-10-18(12-6-7-12)13-4-2-3-5-14(13)19/h2-5,12H,6-11H2,1H3
InChIKeyYFDCNNDWVOURDJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.96
Rot. Bonds3

About methyl 1-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)cyclopropane-1-carboxylate

methyl 1-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)cyclopropane-1-carboxylate (PubChem CID 118093547) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is methyl 1-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)cyclopropane-1-carboxylate
PubChem CID118093547
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Namemethyl 1-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(=O)N2CCN(C3CC3)c3ccccc32)CC1
InChIInChI=1S/C17H20N2O3/c1-22-16(21)17(8-9-17)15(20)19-11-10-18(12-6-7-12)13-4-2-3-5-14(13)19/h2-5,12H,6-11H2,1H3
InChIKeyYFDCNNDWVOURDJ-UHFFFAOYSA-N
XLogP1.96
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)cyclopropane-1-carboxylate (CID 118093547) is methyl 1-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)cyclopropane-1-carboxylate is COC(=O)C1(C(=O)N2CCN(C3CC3)c3ccccc32)CC1.
What is the InChIKey of methyl 1-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)cyclopropane-1-carboxylate?
The InChIKey is YFDCNNDWVOURDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-22-16(21)17(8-9-17)15(20)19-11-10-18(12-6-7-12)13-4-2-3-5-14(13)19/h2-5,12H,6-11H2,1H3.
What are the key properties of methyl 1-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)cyclopropane-1-carboxylate?
methyl 1-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)cyclopropane-1-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 118093547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).