tert-butyl N-[1-(4-methyl-3-oxoquinoxalin-2-yl)cyclopentyl]carbamate

C19H25N3O3 — CID 156706179

IUPACtert-butyl N-[1-(4-methyl-3-oxoquinoxalin-2-yl)cyclopentyl]carbamate
SMILESCn1c(=O)c(C2(NC(=O)OC(C)(C)C)CCCC2)nc2ccccc21
InChIInChI=1S/C19H25N3O3/c1-18(2,3)25-17(24)21-19(11-7-8-12-19)15-16(23)22(4)14-10-6-5-9-13(14)20-15/h5-6,9-10H,7-8,11-12H2,1-4H3,(H,21,24)
InChIKeyPKNYPVULNZIXEF-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.23
Rot. Bonds2

About tert-butyl N-[1-(4-methyl-3-oxoquinoxalin-2-yl)cyclopentyl]carbamate

tert-butyl N-[1-(4-methyl-3-oxoquinoxalin-2-yl)cyclopentyl]carbamate (PubChem CID 156706179) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is tert-butyl N-[1-(4-methyl-3-oxoquinoxalin-2-yl)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-methyl-3-oxoquinoxalin-2-yl)cyclopentyl]carbamate
PubChem CID156706179
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Nametert-butyl N-[1-(4-methyl-3-oxoquinoxalin-2-yl)cyclopentyl]carbamate
SMILESCn1c(=O)c(C2(NC(=O)OC(C)(C)C)CCCC2)nc2ccccc21
InChIInChI=1S/C19H25N3O3/c1-18(2,3)25-17(24)21-19(11-7-8-12-19)15-16(23)22(4)14-10-6-5-9-13(14)20-15/h5-6,9-10H,7-8,11-12H2,1-4H3,(H,21,24)
InChIKeyPKNYPVULNZIXEF-UHFFFAOYSA-N
XLogP3.23
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-methyl-3-oxoquinoxalin-2-yl)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-methyl-3-oxoquinoxalin-2-yl)cyclopentyl]carbamate (CID 156706179) is tert-butyl N-[1-(4-methyl-3-oxoquinoxalin-2-yl)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-methyl-3-oxoquinoxalin-2-yl)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-methyl-3-oxoquinoxalin-2-yl)cyclopentyl]carbamate is Cn1c(=O)c(C2(NC(=O)OC(C)(C)C)CCCC2)nc2ccccc21.
What is the InChIKey of tert-butyl N-[1-(4-methyl-3-oxoquinoxalin-2-yl)cyclopentyl]carbamate?
The InChIKey is PKNYPVULNZIXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-18(2,3)25-17(24)21-19(11-7-8-12-19)15-16(23)22(4)14-10-6-5-9-13(14)20-15/h5-6,9-10H,7-8,11-12H2,1-4H3,(H,21,24).
What are the key properties of tert-butyl N-[1-(4-methyl-3-oxoquinoxalin-2-yl)cyclopentyl]carbamate?
tert-butyl N-[1-(4-methyl-3-oxoquinoxalin-2-yl)cyclopentyl]carbamate has a molecular weight of 343.43 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-methyl-3-oxoquinoxalin-2-yl)cyclopentyl]carbamate is sourced from PubChem (CID 156706179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).