1-(7-morpholin-4-ylquinoxalin-5-yl)cyclohexane-1,4-diamine

C18H25N5O — CID 90411356

IUPAC1-(7-morpholin-4-ylquinoxalin-5-yl)cyclohexane-1,4-diamine
SMILESNC1CCC(N)(c2cc(N3CCOCC3)cc3nccnc23)CC1
InChIInChI=1S/C18H25N5O/c19-13-1-3-18(20,4-2-13)15-11-14(23-7-9-24-10-8-23)12-16-17(15)22-6-5-21-16/h5-6,11-13H,1-4,7-10,19-20H2
InChIKeyGAQJLPRYRGLJNP-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.52
Rot. Bonds2

About 1-(7-morpholin-4-ylquinoxalin-5-yl)cyclohexane-1,4-diamine

1-(7-morpholin-4-ylquinoxalin-5-yl)cyclohexane-1,4-diamine (PubChem CID 90411356) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-(7-morpholin-4-ylquinoxalin-5-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-(7-morpholin-4-ylquinoxalin-5-yl)cyclohexane-1,4-diamine
PubChem CID90411356
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-(7-morpholin-4-ylquinoxalin-5-yl)cyclohexane-1,4-diamine
SMILESNC1CCC(N)(c2cc(N3CCOCC3)cc3nccnc23)CC1
InChIInChI=1S/C18H25N5O/c19-13-1-3-18(20,4-2-13)15-11-14(23-7-9-24-10-8-23)12-16-17(15)22-6-5-21-16/h5-6,11-13H,1-4,7-10,19-20H2
InChIKeyGAQJLPRYRGLJNP-UHFFFAOYSA-N
XLogP1.52
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(7-morpholin-4-ylquinoxalin-5-yl)cyclohexane-1,4-diamine?
The IUPAC name of 1-(7-morpholin-4-ylquinoxalin-5-yl)cyclohexane-1,4-diamine (CID 90411356) is 1-(7-morpholin-4-ylquinoxalin-5-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-(7-morpholin-4-ylquinoxalin-5-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-(7-morpholin-4-ylquinoxalin-5-yl)cyclohexane-1,4-diamine is NC1CCC(N)(c2cc(N3CCOCC3)cc3nccnc23)CC1.
What is the InChIKey of 1-(7-morpholin-4-ylquinoxalin-5-yl)cyclohexane-1,4-diamine?
The InChIKey is GAQJLPRYRGLJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c19-13-1-3-18(20,4-2-13)15-11-14(23-7-9-24-10-8-23)12-16-17(15)22-6-5-21-16/h5-6,11-13H,1-4,7-10,19-20H2.
What are the key properties of 1-(7-morpholin-4-ylquinoxalin-5-yl)cyclohexane-1,4-diamine?
1-(7-morpholin-4-ylquinoxalin-5-yl)cyclohexane-1,4-diamine has a molecular weight of 327.43 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-morpholin-4-ylquinoxalin-5-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 90411356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).