N-methyl-4-(oxolan-2-yl)-1-quinoxalin-6-ylbutan-1-amine

C17H23N3O — CID 65164718

IUPACN-methyl-4-(oxolan-2-yl)-1-quinoxalin-6-ylbutan-1-amine
SMILESCNC(CCCC1CCCO1)c1ccc2nccnc2c1
InChIInChI=1S/C17H23N3O/c1-18-15(6-2-4-14-5-3-11-21-14)13-7-8-16-17(12-13)20-10-9-19-16/h7-10,12,14-15,18H,2-6,11H2,1H3
InChIKeyDVLVYWZEMBCSKL-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.24
Rot. Bonds6

About N-methyl-4-(oxolan-2-yl)-1-quinoxalin-6-ylbutan-1-amine

N-methyl-4-(oxolan-2-yl)-1-quinoxalin-6-ylbutan-1-amine (PubChem CID 65164718) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-methyl-4-(oxolan-2-yl)-1-quinoxalin-6-ylbutan-1-amine.

Molecular Properties

Compound NameN-methyl-4-(oxolan-2-yl)-1-quinoxalin-6-ylbutan-1-amine
PubChem CID65164718
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-methyl-4-(oxolan-2-yl)-1-quinoxalin-6-ylbutan-1-amine
SMILESCNC(CCCC1CCCO1)c1ccc2nccnc2c1
InChIInChI=1S/C17H23N3O/c1-18-15(6-2-4-14-5-3-11-21-14)13-7-8-16-17(12-13)20-10-9-19-16/h7-10,12,14-15,18H,2-6,11H2,1H3
InChIKeyDVLVYWZEMBCSKL-UHFFFAOYSA-N
XLogP3.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(oxolan-2-yl)-1-quinoxalin-6-ylbutyl]hydrazine
CID 105221924
N-methyl-4-(oxolan-2-yl)-1-quinolin-6-ylbutan-1-amine
CID 65164208
1-(4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65167486
N-methyl-3-(oxolan-2-yl)-1-pyridin-4-ylpropan-1-amine
CID 65167446
1-(3-bromo-4-methylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 104993732
4-methoxy-N-methyl-1-quinoxalin-6-ylbutan-1-amine
CID 115626675
1-(3-bromo-5-chlorophenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 107946066
1-(3,4-dichlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 81492098
1-(2-fluoro-3-methylphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 104993224
1-(3,5-dichloro-2-pyridinyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 79780320
1-(4-bromophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65154712
[1-(3-bromo-4-methylphenyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105314055

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(oxolan-2-yl)-1-quinoxalin-6-ylbutan-1-amine?
The IUPAC name of N-methyl-4-(oxolan-2-yl)-1-quinoxalin-6-ylbutan-1-amine (CID 65164718) is N-methyl-4-(oxolan-2-yl)-1-quinoxalin-6-ylbutan-1-amine.
What is the SMILES notation for N-methyl-4-(oxolan-2-yl)-1-quinoxalin-6-ylbutan-1-amine?
The canonical SMILES for N-methyl-4-(oxolan-2-yl)-1-quinoxalin-6-ylbutan-1-amine is CNC(CCCC1CCCO1)c1ccc2nccnc2c1.
What is the InChIKey of N-methyl-4-(oxolan-2-yl)-1-quinoxalin-6-ylbutan-1-amine?
The InChIKey is DVLVYWZEMBCSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-18-15(6-2-4-14-5-3-11-21-14)13-7-8-16-17(12-13)20-10-9-19-16/h7-10,12,14-15,18H,2-6,11H2,1H3.
What are the key properties of N-methyl-4-(oxolan-2-yl)-1-quinoxalin-6-ylbutan-1-amine?
N-methyl-4-(oxolan-2-yl)-1-quinoxalin-6-ylbutan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(oxolan-2-yl)-1-quinoxalin-6-ylbutan-1-amine is sourced from PubChem (CID 65164718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).