2-[4-(4-morpholin-4-ylquinazolin-2-yl)piperazin-1-ium-1-yl]ethanol

C18H26N5O2+ — CID 7349238

IUPAC2-[4-(4-morpholin-4-ylquinazolin-2-yl)piperazin-1-ium-1-yl]ethanol
SMILESOCC[NH+]1CCN(c2nc(N3CCOCC3)c3ccccc3n2)CC1
InChIInChI=1S/C18H25N5O2/c24-12-9-21-5-7-23(8-6-21)18-19-16-4-2-1-3-15(16)17(20-18)22-10-13-25-14-11-22/h1-4,24H,5-14H2/p+1
InChIKeyTZCFPMDSLNYVPB-UHFFFAOYSA-O
MW344.44 g/mol
LogP-0.84
Rot. Bonds4

About 2-[4-(4-morpholin-4-ylquinazolin-2-yl)piperazin-1-ium-1-yl]ethanol

2-[4-(4-morpholin-4-ylquinazolin-2-yl)piperazin-1-ium-1-yl]ethanol (PubChem CID 7349238) has the molecular formula C18H26N5O2+ and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-[4-(4-morpholin-4-ylquinazolin-2-yl)piperazin-1-ium-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-morpholin-4-ylquinazolin-2-yl)piperazin-1-ium-1-yl]ethanol
PubChem CID7349238
Molecular FormulaC18H26N5O2+
Molecular Weight344.44 g/mol
Exact Mass344.21
IUPAC Name2-[4-(4-morpholin-4-ylquinazolin-2-yl)piperazin-1-ium-1-yl]ethanol
SMILESOCC[NH+]1CCN(c2nc(N3CCOCC3)c3ccccc3n2)CC1
InChIInChI=1S/C18H25N5O2/c24-12-9-21-5-7-23(8-6-21)18-19-16-4-2-1-3-15(16)17(20-18)22-10-13-25-14-11-22/h1-4,24H,5-14H2/p+1
InChIKeyTZCFPMDSLNYVPB-UHFFFAOYSA-O
XLogP-0.84
TPSA66.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-yl]morpholine
CID 7349051
4-[4-(4-methylpiperidin-1-yl)quinazolin-2-yl]morpholine;hydrochloride
CID 6459337
2-[4-(4-phenylphthalazin-1-yl)piperazin-1-ium-1-yl]ethanol
CID 6956791
4-[6-(4-benzylpiperazin-4-ium-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 7216427
4-(2-methylsulfanylquinazolin-4-yl)morpholine
CID 658307
2,4-bis(4,4-difluoropiperidin-1-yl)quinazoline
CID 148519917
N-(4-methylphenyl)-4-morpholin-4-ylquinazolin-2-amine;hydrochloride
CID 2910267
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-1-ylquinazoline
CID 25144879
1-(4-methoxyphenyl)-1-(2-morpholin-4-ylquinazolin-4-yl)ethanol
CID 118736462
4-morpholin-4-yl-N-(2-phenylethyl)quinazoline-2-carboxamide
CID 53012870
2-morpholin-4-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 91963594
4-(2,4-dimorpholin-4-yl-6-phenylpyrimidin-5-yl)morpholine
CID 12624037

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-morpholin-4-ylquinazolin-2-yl)piperazin-1-ium-1-yl]ethanol?
The IUPAC name of 2-[4-(4-morpholin-4-ylquinazolin-2-yl)piperazin-1-ium-1-yl]ethanol (CID 7349238) is 2-[4-(4-morpholin-4-ylquinazolin-2-yl)piperazin-1-ium-1-yl]ethanol.
What is the SMILES notation for 2-[4-(4-morpholin-4-ylquinazolin-2-yl)piperazin-1-ium-1-yl]ethanol?
The canonical SMILES for 2-[4-(4-morpholin-4-ylquinazolin-2-yl)piperazin-1-ium-1-yl]ethanol is OCC[NH+]1CCN(c2nc(N3CCOCC3)c3ccccc3n2)CC1.
What is the InChIKey of 2-[4-(4-morpholin-4-ylquinazolin-2-yl)piperazin-1-ium-1-yl]ethanol?
The InChIKey is TZCFPMDSLNYVPB-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H25N5O2/c24-12-9-21-5-7-23(8-6-21)18-19-16-4-2-1-3-15(16)17(20-18)22-10-13-25-14-11-22/h1-4,24H,5-14H2/p+1.
What are the key properties of 2-[4-(4-morpholin-4-ylquinazolin-2-yl)piperazin-1-ium-1-yl]ethanol?
2-[4-(4-morpholin-4-ylquinazolin-2-yl)piperazin-1-ium-1-yl]ethanol has a molecular weight of 344.44 g/mol, XLogP of -0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-morpholin-4-ylquinazolin-2-yl)piperazin-1-ium-1-yl]ethanol is sourced from PubChem (CID 7349238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).