4-(3-methoxycyclobutyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile

C14H17N3O — CID 135388689

IUPAC4-(3-methoxycyclobutyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile
SMILESCOC1CC(N2CCNc3ccc(C#N)cc32)C1
InChIInChI=1S/C14H17N3O/c1-18-12-7-11(8-12)17-5-4-16-13-3-2-10(9-15)6-14(13)17/h2-3,6,11-12,16H,4-5,7-8H2,1H3
InChIKeyLTZDDIIOESKFMS-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.97
Rot. Bonds2

About 4-(3-methoxycyclobutyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile

4-(3-methoxycyclobutyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile (PubChem CID 135388689) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-(3-methoxycyclobutyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile.

Molecular Properties

Compound Name4-(3-methoxycyclobutyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile
PubChem CID135388689
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-(3-methoxycyclobutyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile
SMILESCOC1CC(N2CCNc3ccc(C#N)cc32)C1
InChIInChI=1S/C14H17N3O/c1-18-12-7-11(8-12)17-5-4-16-13-3-2-10(9-15)6-14(13)17/h2-3,6,11-12,16H,4-5,7-8H2,1H3
InChIKeyLTZDDIIOESKFMS-UHFFFAOYSA-N
XLogP1.97
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-4-yl-3,4-dihydro-2H-quinoxaline-6-carbonitrile
CID 117031626
1-cyclohexyl-3,4-dihydro-2H-quinoxaline-6-carbonitrile
CID 117007237
4-(2-methoxyphenyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile
CID 117007143
4-phenyl-2,3-dihydro-1H-quinoxaline-6-carbonitrile
CID 117007124
4-[(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]benzonitrile
CID 122255640
4-(3-aminopropyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile
CID 117031414
4-(4-methoxypiperidin-1-yl)-3-methylbenzonitrile
CID 54934420
4-(3-methoxycyclobutyl)oxybenzonitrile
CID 169088074
3-amino-4-(4-methoxypiperidin-1-yl)benzonitrile
CID 43518180
5-oxo-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxaline-9-carbonitrile
CID 104716080
3,3,5-trimethyl-4-oxo-1,2-dihydro-1,5-benzodiazepine-7-carbonitrile
CID 84625872
6-bromo-4-cyclohexyl-2,3-dihydro-1H-quinoxaline
CID 117006433

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxycyclobutyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile?
The IUPAC name of 4-(3-methoxycyclobutyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile (CID 135388689) is 4-(3-methoxycyclobutyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile.
What is the SMILES notation for 4-(3-methoxycyclobutyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile?
The canonical SMILES for 4-(3-methoxycyclobutyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile is COC1CC(N2CCNc3ccc(C#N)cc32)C1.
What is the InChIKey of 4-(3-methoxycyclobutyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile?
The InChIKey is LTZDDIIOESKFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-18-12-7-11(8-12)17-5-4-16-13-3-2-10(9-15)6-14(13)17/h2-3,6,11-12,16H,4-5,7-8H2,1H3.
What are the key properties of 4-(3-methoxycyclobutyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile?
4-(3-methoxycyclobutyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile has a molecular weight of 243.31 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxycyclobutyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile is sourced from PubChem (CID 135388689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).