4-(quinoxaline-6-carbonyl)morpholine-2-carbonitrile

C14H12N4O2 — CID 78945959

IUPAC4-(quinoxaline-6-carbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2ccc3nccnc3c2)CCO1
InChIInChI=1S/C14H12N4O2/c15-8-11-9-18(5-6-20-11)14(19)10-1-2-12-13(7-10)17-4-3-16-12/h1-4,7,11H,5-6,9H2
InChIKeyXUIXDMJYMZNTMP-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.99
Rot. Bonds1

About 4-(quinoxaline-6-carbonyl)morpholine-2-carbonitrile

4-(quinoxaline-6-carbonyl)morpholine-2-carbonitrile (PubChem CID 78945959) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-(quinoxaline-6-carbonyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(quinoxaline-6-carbonyl)morpholine-2-carbonitrile
PubChem CID78945959
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name4-(quinoxaline-6-carbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2ccc3nccnc3c2)CCO1
InChIInChI=1S/C14H12N4O2/c15-8-11-9-18(5-6-20-11)14(19)10-1-2-12-13(7-10)17-4-3-16-12/h1-4,7,11H,5-6,9H2
InChIKeyXUIXDMJYMZNTMP-UHFFFAOYSA-N
XLogP0.99
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-aminopyridine-4-carbonyl)morpholine-2-carbonitrile
CID 79676652
4-(3H-benzimidazole-5-carbonyl)morpholine-2-carbonitrile
CID 78946024
4-(3,4-dichlorobenzoyl)morpholine-2-carbonitrile
CID 78945567
4-(3,4-difluorobenzoyl)morpholine-2-carbonitrile
CID 78945954
4-(pyridine-3-carbonyl)morpholine-2-carbonitrile
CID 78945686
4-(3-chloro-4-fluorobenzoyl)morpholine-2-carbonitrile
CID 81435497
4-(3,5-dimethylbenzoyl)morpholine-2-carbonitrile
CID 78945545
4-(3-methylsulfonylbenzoyl)morpholine-2-carbonitrile
CID 78945893
4-(3,5-dimethoxybenzoyl)morpholine-2-carbonitrile
CID 78945956
(3-bromopyrrolidin-1-yl)-quinoxalin-6-ylmethanone
CID 80677717
4-(3-methylpyridine-2-carbonyl)morpholine-2-carbonitrile
CID 79674607
4-[4-(difluoromethoxy)benzoyl]morpholine-2-carbonitrile
CID 78945547

Frequently Asked Questions

What is the IUPAC name of 4-(quinoxaline-6-carbonyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(quinoxaline-6-carbonyl)morpholine-2-carbonitrile (CID 78945959) is 4-(quinoxaline-6-carbonyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(quinoxaline-6-carbonyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(quinoxaline-6-carbonyl)morpholine-2-carbonitrile is N#CC1CN(C(=O)c2ccc3nccnc3c2)CCO1.
What is the InChIKey of 4-(quinoxaline-6-carbonyl)morpholine-2-carbonitrile?
The InChIKey is XUIXDMJYMZNTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c15-8-11-9-18(5-6-20-11)14(19)10-1-2-12-13(7-10)17-4-3-16-12/h1-4,7,11H,5-6,9H2.
What are the key properties of 4-(quinoxaline-6-carbonyl)morpholine-2-carbonitrile?
4-(quinoxaline-6-carbonyl)morpholine-2-carbonitrile has a molecular weight of 268.28 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinoxaline-6-carbonyl)morpholine-2-carbonitrile is sourced from PubChem (CID 78945959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).