2-(1,4-diazepan-1-yl)-3-methoxyquinoxaline;hydrochloride

C14H19ClN4O — CID 71643070

IUPAC2-(1,4-diazepan-1-yl)-3-methoxyquinoxaline;hydrochloride
SMILESCOc1nc2ccccc2nc1N1CCCNCC1.Cl
InChIInChI=1S/C14H18N4O.ClH/c1-19-14-13(18-9-4-7-15-8-10-18)16-11-5-2-3-6-12(11)17-14;/h2-3,5-6,15H,4,7-10H2,1H3;1H
InChIKeyRIMQPUJKOBQZEQ-UHFFFAOYSA-N
MW294.79 g/mol
LogP1.86
Rot. Bonds2

About 2-(1,4-diazepan-1-yl)-3-methoxyquinoxaline;hydrochloride

2-(1,4-diazepan-1-yl)-3-methoxyquinoxaline;hydrochloride (PubChem CID 71643070) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-3-methoxyquinoxaline;hydrochloride.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-3-methoxyquinoxaline;hydrochloride
PubChem CID71643070
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name2-(1,4-diazepan-1-yl)-3-methoxyquinoxaline;hydrochloride
SMILESCOc1nc2ccccc2nc1N1CCCNCC1.Cl
InChIInChI=1S/C14H18N4O.ClH/c1-19-14-13(18-9-4-7-15-8-10-18)16-11-5-2-3-6-12(11)17-14;/h2-3,5-6,15H,4,7-10H2,1H3;1H
InChIKeyRIMQPUJKOBQZEQ-UHFFFAOYSA-N
XLogP1.86
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyquinoxalin-2-yl)-N-methylpiperidin-4-amine;hydrochloride
CID 71642824
(3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-amine;hydrochloride
CID 71643054
2-[2-(4-chlorophenoxy)ethoxy]-3-piperazin-1-ylquinoxaline
CID 22036291
2-(1,4-diazepan-1-yl)-1-methylbenzimidazole
CID 22636344
3-bromo-2-piperazin-1-ylquinoline;hydrochloride
CID 166485617
[1-(3-methoxyquinoxalin-2-yl)pyrrolidin-2-yl]methanol
CID 71648493
2-(4-methoxyphenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline
CID 24853598
2-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylquinoxaline
CID 50764074
2-methoxy-3-methyl-6-piperazin-1-ylquinoxaline
CID 117275293
7-methoxy-3-methyl-2-piperazin-1-ylquinoline;hydrochloride
CID 121237209
1-(6-methoxy-3-nitro-2-pyridinyl)-1,4-diazepane
CID 113286359
2-(4-chlorophenoxy)-3-pyrrolidin-1-ylquinoxaline
CID 50764083

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-3-methoxyquinoxaline;hydrochloride?
The IUPAC name of 2-(1,4-diazepan-1-yl)-3-methoxyquinoxaline;hydrochloride (CID 71643070) is 2-(1,4-diazepan-1-yl)-3-methoxyquinoxaline;hydrochloride.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-3-methoxyquinoxaline;hydrochloride?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-3-methoxyquinoxaline;hydrochloride is COc1nc2ccccc2nc1N1CCCNCC1.Cl.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-3-methoxyquinoxaline;hydrochloride?
The InChIKey is RIMQPUJKOBQZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O.ClH/c1-19-14-13(18-9-4-7-15-8-10-18)16-11-5-2-3-6-12(11)17-14;/h2-3,5-6,15H,4,7-10H2,1H3;1H.
What are the key properties of 2-(1,4-diazepan-1-yl)-3-methoxyquinoxaline;hydrochloride?
2-(1,4-diazepan-1-yl)-3-methoxyquinoxaline;hydrochloride has a molecular weight of 294.79 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-3-methoxyquinoxaline;hydrochloride is sourced from PubChem (CID 71643070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).