[4-[3-(cyclohexylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]methanol

C20H27N5O — CID 141071246

IUPAC[4-[3-(cyclohexylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]methanol
SMILESOCc1cnc2c(NCCCNC3CCCCC3)nc3ccccc3n12
InChIInChI=1S/C20H27N5O/c26-14-16-13-23-20-19(24-17-9-4-5-10-18(17)25(16)20)22-12-6-11-21-15-7-2-1-3-8-15/h4-5,9-10,13,15,21,26H,1-3,6-8,11-12,14H2,(H,22,24)
InChIKeyRIBYZNFCVPKYRN-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.10
Rot. Bonds7

About [4-[3-(cyclohexylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]methanol

[4-[3-(cyclohexylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]methanol (PubChem CID 141071246) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is [4-[3-(cyclohexylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]methanol.

Molecular Properties

Compound Name[4-[3-(cyclohexylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]methanol
PubChem CID141071246
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name[4-[3-(cyclohexylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]methanol
SMILESOCc1cnc2c(NCCCNC3CCCCC3)nc3ccccc3n12
InChIInChI=1S/C20H27N5O/c26-14-16-13-23-20-19(24-17-9-4-5-10-18(17)25(16)20)22-12-6-11-21-15-7-2-1-3-8-15/h4-5,9-10,13,15,21,26H,1-3,6-8,11-12,14H2,(H,22,24)
InChIKeyRIBYZNFCVPKYRN-UHFFFAOYSA-N
XLogP3.10
TPSA74.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-[3-(cyclohexylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]methanol with MolForge

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Related Compounds

[4-(butylamino)imidazo[1,2-a]quinoxalin-1-yl]methanol
CID 141155093
[7,8-dichloro-4-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]methanol
CID 141071230
1-cyclohexyl-3-[4-[[1-methyl-7-(1-methylbenzimidazol-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]amino]butyl]urea
CID 142746217
N-[3-(2-ethylpiperidin-1-yl)propyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 126458706
2-cyclopropyl-1-[4-[4-[3-(dimethylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone
CID 147534440
N-[4-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]acetamide
CID 146342013
N-(3-indol-1-ylpropyl)cyclooctanamine
CID 29267524
1-[2-(cyclohexylamino)ethyl]quinoxalin-2-one
CID 62562469
[4-(2-methylpropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]methanol
CID 141071245
N-cyclopropyl-N'-quinolin-2-ylpropane-1,3-diamine
CID 43599624
N'-[1-(3-methoxyphenyl)imidazo[1,2-a]quinoxalin-4-yl]ethane-1,2-diamine
CID 67545571
N-cyclohexyl-N'-(6-phenylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
CID 4830117

Frequently Asked Questions

What is the IUPAC name of [4-[3-(cyclohexylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]methanol?
The IUPAC name of [4-[3-(cyclohexylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]methanol (CID 141071246) is [4-[3-(cyclohexylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]methanol.
What is the SMILES notation for [4-[3-(cyclohexylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]methanol?
The canonical SMILES for [4-[3-(cyclohexylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]methanol is OCc1cnc2c(NCCCNC3CCCCC3)nc3ccccc3n12.
What is the InChIKey of [4-[3-(cyclohexylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]methanol?
The InChIKey is RIBYZNFCVPKYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c26-14-16-13-23-20-19(24-17-9-4-5-10-18(17)25(16)20)22-12-6-11-21-15-7-2-1-3-8-15/h4-5,9-10,13,15,21,26H,1-3,6-8,11-12,14H2,(H,22,24).
What are the key properties of [4-[3-(cyclohexylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]methanol?
[4-[3-(cyclohexylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]methanol has a molecular weight of 353.47 g/mol, XLogP of 3.10, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(cyclohexylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]methanol is sourced from PubChem (CID 141071246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).