4-[2,3-bis(4-morpholin-4-ylphenyl)quinoxalin-6-yl]morpholine

C32H35N5O3 — CID 168665169

IUPAC4-[2,3-bis(4-morpholin-4-ylphenyl)quinoxalin-6-yl]morpholine
SMILESc1cc(N2CCOCC2)ccc1-c1nc2ccc(N3CCOCC3)cc2nc1-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C32H35N5O3/c1-5-26(35-11-17-38-18-12-35)6-2-24(1)31-32(25-3-7-27(8-4-25)36-13-19-39-20-14-36)34-30-23-28(9-10-29(30)33-31)37-15-21-40-22-16-37/h1-10,23H,11-22H2
InChIKeyOJNILUMXXOZKFD-UHFFFAOYSA-N
MW537.66 g/mol
LogP4.47
Rot. Bonds5

About 4-[2,3-bis(4-morpholin-4-ylphenyl)quinoxalin-6-yl]morpholine

4-[2,3-bis(4-morpholin-4-ylphenyl)quinoxalin-6-yl]morpholine (PubChem CID 168665169) has the molecular formula C32H35N5O3 and a molecular weight of 537.66 g/mol. Its IUPAC name is 4-[2,3-bis(4-morpholin-4-ylphenyl)quinoxalin-6-yl]morpholine.

Molecular Properties

Compound Name4-[2,3-bis(4-morpholin-4-ylphenyl)quinoxalin-6-yl]morpholine
PubChem CID168665169
Molecular FormulaC32H35N5O3
Molecular Weight537.66 g/mol
Exact Mass537.27
IUPAC Name4-[2,3-bis(4-morpholin-4-ylphenyl)quinoxalin-6-yl]morpholine
SMILESc1cc(N2CCOCC2)ccc1-c1nc2ccc(N3CCOCC3)cc2nc1-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C32H35N5O3/c1-5-26(35-11-17-38-18-12-35)6-2-24(1)31-32(25-3-7-27(8-4-25)36-13-19-39-20-14-36)34-30-23-28(9-10-29(30)33-31)37-15-21-40-22-16-37/h1-10,23H,11-22H2
InChIKeyOJNILUMXXOZKFD-UHFFFAOYSA-N
XLogP4.47
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.66
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
4-[4-(6-bromoquinazolin-4-yl)phenyl]morpholine
CID 170641265
6-morpholin-4-ylquinolin-2-amine
CID 25139674
4-(4-pyridin-4-ylphenyl)morpholine
CID 91005781
2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-amine
CID 17325486
2-methyl-2-[4-(8-morpholin-4-yl-3H-pyrazolo[3,4-c]quinolin-1-yl)phenyl]propanenitrile
CID 44593920
(4-morpholin-4-ylphenyl)-[4-(4-morpholin-4-ylphenyl)phenyl]diazene
CID 118528758
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
4-[2-chloro-3-(chloromethyl)quinolin-6-yl]morpholine
CID 55176340
6-(3-morpholin-4-ylphenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 53353808
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
4-[2-[4-(2,2-dimethylpropoxy)phenyl]-3H-benzimidazol-5-yl]morpholine
CID 143859047

Frequently Asked Questions

What is the IUPAC name of 4-[2,3-bis(4-morpholin-4-ylphenyl)quinoxalin-6-yl]morpholine?
The IUPAC name of 4-[2,3-bis(4-morpholin-4-ylphenyl)quinoxalin-6-yl]morpholine (CID 168665169) is 4-[2,3-bis(4-morpholin-4-ylphenyl)quinoxalin-6-yl]morpholine.
What is the SMILES notation for 4-[2,3-bis(4-morpholin-4-ylphenyl)quinoxalin-6-yl]morpholine?
The canonical SMILES for 4-[2,3-bis(4-morpholin-4-ylphenyl)quinoxalin-6-yl]morpholine is c1cc(N2CCOCC2)ccc1-c1nc2ccc(N3CCOCC3)cc2nc1-c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-[2,3-bis(4-morpholin-4-ylphenyl)quinoxalin-6-yl]morpholine?
The InChIKey is OJNILUMXXOZKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O3/c1-5-26(35-11-17-38-18-12-35)6-2-24(1)31-32(25-3-7-27(8-4-25)36-13-19-39-20-14-36)34-30-23-28(9-10-29(30)33-31)37-15-21-40-22-16-37/h1-10,23H,11-22H2.
What are the key properties of 4-[2,3-bis(4-morpholin-4-ylphenyl)quinoxalin-6-yl]morpholine?
4-[2,3-bis(4-morpholin-4-ylphenyl)quinoxalin-6-yl]morpholine has a molecular weight of 537.66 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3-bis(4-morpholin-4-ylphenyl)quinoxalin-6-yl]morpholine is sourced from PubChem (CID 168665169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).