1-(4-methyl-3-oxoquinoxalin-2-yl)butyl carbamate

C14H17N3O3 — CID 175171682

IUPAC1-(4-methyl-3-oxoquinoxalin-2-yl)butyl carbamate
SMILESCCCC(OC(N)=O)c1nc2ccccc2n(C)c1=O
InChIInChI=1S/C14H17N3O3/c1-3-6-11(20-14(15)19)12-13(18)17(2)10-8-5-4-7-9(10)16-12/h4-5,7-8,11H,3,6H2,1-2H3,(H2,15,19)
InChIKeyZGZMGQCFMNRZHN-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.87
Rot. Bonds4

About 1-(4-methyl-3-oxoquinoxalin-2-yl)butyl carbamate

1-(4-methyl-3-oxoquinoxalin-2-yl)butyl carbamate (PubChem CID 175171682) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-(4-methyl-3-oxoquinoxalin-2-yl)butyl carbamate.

Molecular Properties

Compound Name1-(4-methyl-3-oxoquinoxalin-2-yl)butyl carbamate
PubChem CID175171682
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name1-(4-methyl-3-oxoquinoxalin-2-yl)butyl carbamate
SMILESCCCC(OC(N)=O)c1nc2ccccc2n(C)c1=O
InChIInChI=1S/C14H17N3O3/c1-3-6-11(20-14(15)19)12-13(18)17(2)10-8-5-4-7-9(10)16-12/h4-5,7-8,11H,3,6H2,1-2H3,(H2,15,19)
InChIKeyZGZMGQCFMNRZHN-UHFFFAOYSA-N
XLogP1.87
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.87
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)butyl carbamate?
The IUPAC name of 1-(4-methyl-3-oxoquinoxalin-2-yl)butyl carbamate (CID 175171682) is 1-(4-methyl-3-oxoquinoxalin-2-yl)butyl carbamate.
What is the SMILES notation for 1-(4-methyl-3-oxoquinoxalin-2-yl)butyl carbamate?
The canonical SMILES for 1-(4-methyl-3-oxoquinoxalin-2-yl)butyl carbamate is CCCC(OC(N)=O)c1nc2ccccc2n(C)c1=O.
What is the InChIKey of 1-(4-methyl-3-oxoquinoxalin-2-yl)butyl carbamate?
The InChIKey is ZGZMGQCFMNRZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-6-11(20-14(15)19)12-13(18)17(2)10-8-5-4-7-9(10)16-12/h4-5,7-8,11H,3,6H2,1-2H3,(H2,15,19).
What are the key properties of 1-(4-methyl-3-oxoquinoxalin-2-yl)butyl carbamate?
1-(4-methyl-3-oxoquinoxalin-2-yl)butyl carbamate has a molecular weight of 275.31 g/mol, XLogP of 1.87, 4 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)butyl carbamate is sourced from PubChem (CID 175171682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).