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

C15H17N3O3 — CID 175171148

IUPAC[1-(4-methyl-3-oxoquinoxalin-2-yl)cyclopentyl] carbamate
SMILESCn1c(=O)c(C2(OC(N)=O)CCCC2)nc2ccccc21
InChIInChI=1S/C15H17N3O3/c1-18-11-7-3-2-6-10(11)17-12(13(18)19)15(21-14(16)20)8-4-5-9-15/h2-3,6-7H,4-5,8-9H2,1H3,(H2,16,20)
InChIKeyCZDGWQLDNOCHOT-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.80
Rot. Bonds2

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

[1-(4-methyl-3-oxoquinoxalin-2-yl)cyclopentyl] carbamate (PubChem CID 175171148) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is [1-(4-methyl-3-oxoquinoxalin-2-yl)cyclopentyl] carbamate.

Molecular Properties

Compound Name[1-(4-methyl-3-oxoquinoxalin-2-yl)cyclopentyl] carbamate
PubChem CID175171148
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name[1-(4-methyl-3-oxoquinoxalin-2-yl)cyclopentyl] carbamate
SMILESCn1c(=O)c(C2(OC(N)=O)CCCC2)nc2ccccc21
InChIInChI=1S/C15H17N3O3/c1-18-11-7-3-2-6-10(11)17-12(13(18)19)15(21-14(16)20)8-4-5-9-15/h2-3,6-7H,4-5,8-9H2,1H3,(H2,16,20)
InChIKeyCZDGWQLDNOCHOT-UHFFFAOYSA-N
XLogP1.80
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methyl-3-oxoquinoxalin-2-yl)cyclopentyl] carbamate?
The IUPAC name of [1-(4-methyl-3-oxoquinoxalin-2-yl)cyclopentyl] carbamate (CID 175171148) is [1-(4-methyl-3-oxoquinoxalin-2-yl)cyclopentyl] carbamate.
What is the SMILES notation for [1-(4-methyl-3-oxoquinoxalin-2-yl)cyclopentyl] carbamate?
The canonical SMILES for [1-(4-methyl-3-oxoquinoxalin-2-yl)cyclopentyl] carbamate is Cn1c(=O)c(C2(OC(N)=O)CCCC2)nc2ccccc21.
What is the InChIKey of [1-(4-methyl-3-oxoquinoxalin-2-yl)cyclopentyl] carbamate?
The InChIKey is CZDGWQLDNOCHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-18-11-7-3-2-6-10(11)17-12(13(18)19)15(21-14(16)20)8-4-5-9-15/h2-3,6-7H,4-5,8-9H2,1H3,(H2,16,20).
What are the key properties of [1-(4-methyl-3-oxoquinoxalin-2-yl)cyclopentyl] carbamate?
[1-(4-methyl-3-oxoquinoxalin-2-yl)cyclopentyl] carbamate has a molecular weight of 287.32 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methyl-3-oxoquinoxalin-2-yl)cyclopentyl] carbamate is sourced from PubChem (CID 175171148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).