4-[2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-yl]morpholine

C17H24N5O+ — CID 7349051

IUPAC4-[2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-yl]morpholine
SMILESC[NH+]1CCN(c2nc(N3CCOCC3)c3ccccc3n2)CC1
InChIInChI=1S/C17H23N5O/c1-20-6-8-22(9-7-20)17-18-15-5-3-2-4-14(15)16(19-17)21-10-12-23-13-11-21/h2-5H,6-13H2,1H3/p+1
InChIKeyIXUYMJTUIGDBOX-UHFFFAOYSA-O
MW314.41 g/mol
LogP-0.20
Rot. Bonds2

About 4-[2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-yl]morpholine

4-[2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-yl]morpholine (PubChem CID 7349051) has the molecular formula C17H24N5O+ and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-[2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-yl]morpholine
PubChem CID7349051
Molecular FormulaC17H24N5O+
Molecular Weight314.41 g/mol
Exact Mass314.20
IUPAC Name4-[2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-yl]morpholine
SMILESC[NH+]1CCN(c2nc(N3CCOCC3)c3ccccc3n2)CC1
InChIInChI=1S/C17H23N5O/c1-20-6-8-22(9-7-20)17-18-15-5-3-2-4-14(15)16(19-17)21-10-12-23-13-11-21/h2-5H,6-13H2,1H3/p+1
InChIKeyIXUYMJTUIGDBOX-UHFFFAOYSA-O
XLogP-0.20
TPSA45.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-morpholin-4-ylquinazolin-2-yl)piperazin-1-ium-1-yl]ethanol
CID 7349238
4-[4-(4-methylpiperidin-1-yl)quinazolin-2-yl]morpholine;hydrochloride
CID 6459337
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
2-(3-methylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)quinazoline
CID 4614039
4-[6-(4-benzylpiperazin-4-ium-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 7216427
4-N,4-N-dimethyl-1-N-(4-morpholin-4-ylquinazolin-2-yl)benzene-1,4-diamine;hydrochloride
CID 2972487
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-(2,4-dimorpholin-4-yl-6-phenylpyrimidin-5-yl)morpholine
CID 12624037
N,N-dimethyl-1-(3-morpholin-4-ylquinoxalin-2-yl)piperidin-4-amine
CID 133381274

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-yl]morpholine?
The IUPAC name of 4-[2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-yl]morpholine (CID 7349051) is 4-[2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-yl]morpholine?
The canonical SMILES for 4-[2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-yl]morpholine is C[NH+]1CCN(c2nc(N3CCOCC3)c3ccccc3n2)CC1.
What is the InChIKey of 4-[2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-yl]morpholine?
The InChIKey is IXUYMJTUIGDBOX-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H23N5O/c1-20-6-8-22(9-7-20)17-18-15-5-3-2-4-14(15)16(19-17)21-10-12-23-13-11-21/h2-5H,6-13H2,1H3/p+1.
What are the key properties of 4-[2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-yl]morpholine?
4-[2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-yl]morpholine has a molecular weight of 314.41 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-yl]morpholine is sourced from PubChem (CID 7349051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).