6-chloro-2-N,3-N-diethyl-7-prop-2-ynoxyquinoxaline-2,3-diamine

C15H17ClN4O — CID 87223765

IUPAC6-chloro-2-N,3-N-diethyl-7-prop-2-ynoxyquinoxaline-2,3-diamine
SMILESC#CCOc1cc2nc(NCC)c(NCC)nc2cc1Cl
InChIInChI=1S/C15H17ClN4O/c1-4-7-21-13-9-12-11(8-10(13)16)19-14(17-5-2)15(20-12)18-6-3/h1,8-9H,5-7H2,2-3H3,(H,17,19)(H,18,20)
InChIKeyAWSVSTRUGYILJJ-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.16
Rot. Bonds6

About 6-chloro-2-N,3-N-diethyl-7-prop-2-ynoxyquinoxaline-2,3-diamine

6-chloro-2-N,3-N-diethyl-7-prop-2-ynoxyquinoxaline-2,3-diamine (PubChem CID 87223765) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 6-chloro-2-N,3-N-diethyl-7-prop-2-ynoxyquinoxaline-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N,3-N-diethyl-7-prop-2-ynoxyquinoxaline-2,3-diamine
PubChem CID87223765
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name6-chloro-2-N,3-N-diethyl-7-prop-2-ynoxyquinoxaline-2,3-diamine
SMILESC#CCOc1cc2nc(NCC)c(NCC)nc2cc1Cl
InChIInChI=1S/C15H17ClN4O/c1-4-7-21-13-9-12-11(8-10(13)16)19-14(17-5-2)15(20-12)18-6-3/h1,8-9H,5-7H2,2-3H3,(H,17,19)(H,18,20)
InChIKeyAWSVSTRUGYILJJ-UHFFFAOYSA-N
XLogP3.16
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-chloro-2-N,3-N-diethyl-7-prop-2-ynoxyquinoxaline-2,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Chloro-N2,N3-diethyl-7-methoxyquinoxaline-2,3-diamine
CID 49830955
N-butyl-3-chloro-7-methoxyquinoxalin-2-amine
CID 86055666
6-chloro-2-N-ethyl-7-methoxy-3-N-(pyridin-3-ylmethyl)quinoxaline-2,3-diamine
CID 56952223
6-chloro-2-N-ethyl-7-methoxy-3-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxaline-2,3-diamine
CID 56952335
6-chloro-2-N-ethyl-7-methoxy-3-N-[3-(4-methylpiperazin-1-yl)propyl]quinoxaline-2,3-diamine
CID 56952336
6-chloro-2-N-ethyl-7-methoxy-3-N-(3-pyrrolidin-1-ylpropyl)quinoxaline-2,3-diamine
CID 56952337
6-chloro-3-N-[5-(diethylamino)pentan-2-yl]-2-N-ethyl-7-methoxyquinoxaline-2,3-diamine
CID 56952429
6-chloro-N-ethyl-7-methoxy-3-thiophen-2-ylquinoxalin-2-amine
CID 56952532
7-Chloro-2,3-bis(ethylamino)quinoxalin-6-ol
CID 136187594
3-Amino-7-chloro-1,4-dihydroxy-6-methoxyquinoxaline-2-carbonitrile
CID 135516676
2-Quinoxalinecarbonitrile, 3-amino-6-chloro-7-methoxy-, 1,4-dioxide
CID 136136560
2-N,3-N-dibutyl-6-methoxyquinoxaline-2,3-diamine
CID 118726546

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,3-N-diethyl-7-prop-2-ynoxyquinoxaline-2,3-diamine?
The IUPAC name of 6-chloro-2-N,3-N-diethyl-7-prop-2-ynoxyquinoxaline-2,3-diamine (CID 87223765) is 6-chloro-2-N,3-N-diethyl-7-prop-2-ynoxyquinoxaline-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N,3-N-diethyl-7-prop-2-ynoxyquinoxaline-2,3-diamine?
The canonical SMILES for 6-chloro-2-N,3-N-diethyl-7-prop-2-ynoxyquinoxaline-2,3-diamine is C#CCOc1cc2nc(NCC)c(NCC)nc2cc1Cl.
What is the InChIKey of 6-chloro-2-N,3-N-diethyl-7-prop-2-ynoxyquinoxaline-2,3-diamine?
The InChIKey is AWSVSTRUGYILJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-4-7-21-13-9-12-11(8-10(13)16)19-14(17-5-2)15(20-12)18-6-3/h1,8-9H,5-7H2,2-3H3,(H,17,19)(H,18,20).
What are the key properties of 6-chloro-2-N,3-N-diethyl-7-prop-2-ynoxyquinoxaline-2,3-diamine?
6-chloro-2-N,3-N-diethyl-7-prop-2-ynoxyquinoxaline-2,3-diamine has a molecular weight of 304.78 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,3-N-diethyl-7-prop-2-ynoxyquinoxaline-2,3-diamine is sourced from PubChem (CID 87223765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).