3-(2-methoxyethyl)-2-[(1S)-1-piperazine-1,4-diium-1-ylpropyl]quinazolin-4-one

C18H28N4O2+2 — CID 7347416

IUPAC3-(2-methoxyethyl)-2-[(1S)-1-piperazine-1,4-diium-1-ylpropyl]quinazolin-4-one
SMILESCC[C@@H](c1nc2ccccc2c(=O)n1CCOC)[NH+]1CC[NH2+]CC1
InChIInChI=1S/C18H26N4O2/c1-3-16(21-10-8-19-9-11-21)17-20-15-7-5-4-6-14(15)18(23)22(17)12-13-24-2/h4-7,16,19H,3,8-13H2,1-2H3/p+2/t16-/m0/s1
InChIKeyPHLDKYOLJSHXEJ-INIZCTEOSA-P
MW332.45 g/mol
LogP-1.04
Rot. Bonds6

About 3-(2-methoxyethyl)-2-[(1S)-1-piperazine-1,4-diium-1-ylpropyl]quinazolin-4-one

3-(2-methoxyethyl)-2-[(1S)-1-piperazine-1,4-diium-1-ylpropyl]quinazolin-4-one (PubChem CID 7347416) has the molecular formula C18H28N4O2+2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-2-[(1S)-1-piperazine-1,4-diium-1-ylpropyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-2-[(1S)-1-piperazine-1,4-diium-1-ylpropyl]quinazolin-4-one
PubChem CID7347416
Molecular FormulaC18H28N4O2+2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name3-(2-methoxyethyl)-2-[(1S)-1-piperazine-1,4-diium-1-ylpropyl]quinazolin-4-one
SMILESCC[C@@H](c1nc2ccccc2c(=O)n1CCOC)[NH+]1CC[NH2+]CC1
InChIInChI=1S/C18H26N4O2/c1-3-16(21-10-8-19-9-11-21)17-20-15-7-5-4-6-14(15)18(23)22(17)12-13-24-2/h4-7,16,19H,3,8-13H2,1-2H3/p+2/t16-/m0/s1
InChIKeyPHLDKYOLJSHXEJ-INIZCTEOSA-P
XLogP-1.04
TPSA65.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2-methoxyethyl)-2-[(1S)-1-piperazine-1,4-diium-1-ylpropyl]quinazolin-4-one with MolForge

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Related Compounds

2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 7493416
3-(2-methoxyethyl)-2-[(1S)-1-(propylamino)ethyl]quinazolin-4-one
CID 7231165
3-(2-methoxyethyl)-2-[(1R)-1-(2-methylpropylamino)propyl]quinazolin-4-one
CID 7365393
3-(2-methoxyethyl)-2-[1-(4-propanoylpiperazin-1-yl)propyl]quinazolin-4-one
CID 42714988
2-[(1R)-1-(hexylamino)propyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 7226539
2-[1-(4-benzoyl-3-methylpiperazin-1-yl)propyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 42714630
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylcyclopropanecarboxamide
CID 42713779
N-[(1S)-1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide
CID 7347422
3-(2-methoxyethyl)-2-[1-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]propyl]quinazolin-4-one
CID 42715002
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-propylhexanamide
CID 42713415
N-ethyl-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]heptanamide
CID 42713390
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)-2-phenylacetamide
CID 42713459

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-2-[(1S)-1-piperazine-1,4-diium-1-ylpropyl]quinazolin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-2-[(1S)-1-piperazine-1,4-diium-1-ylpropyl]quinazolin-4-one (CID 7347416) is 3-(2-methoxyethyl)-2-[(1S)-1-piperazine-1,4-diium-1-ylpropyl]quinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-2-[(1S)-1-piperazine-1,4-diium-1-ylpropyl]quinazolin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-2-[(1S)-1-piperazine-1,4-diium-1-ylpropyl]quinazolin-4-one is CC[C@@H](c1nc2ccccc2c(=O)n1CCOC)[NH+]1CC[NH2+]CC1.
What is the InChIKey of 3-(2-methoxyethyl)-2-[(1S)-1-piperazine-1,4-diium-1-ylpropyl]quinazolin-4-one?
The InChIKey is PHLDKYOLJSHXEJ-INIZCTEOSA-P. The full InChI is InChI=1S/C18H26N4O2/c1-3-16(21-10-8-19-9-11-21)17-20-15-7-5-4-6-14(15)18(23)22(17)12-13-24-2/h4-7,16,19H,3,8-13H2,1-2H3/p+2/t16-/m0/s1.
What are the key properties of 3-(2-methoxyethyl)-2-[(1S)-1-piperazine-1,4-diium-1-ylpropyl]quinazolin-4-one?
3-(2-methoxyethyl)-2-[(1S)-1-piperazine-1,4-diium-1-ylpropyl]quinazolin-4-one has a molecular weight of 332.45 g/mol, XLogP of -1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-2-[(1S)-1-piperazine-1,4-diium-1-ylpropyl]quinazolin-4-one is sourced from PubChem (CID 7347416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).