dimethyl-[2-[[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]azaniumyl]ethyl]azanium

C15H24N4O+2 — CID 7440089

IUPACdimethyl-[2-[[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]azaniumyl]ethyl]azanium
SMILESC[C@@H]([NH2+]CC[NH+](C)C)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C15H22N4O/c1-11(16-9-10-18(2)3)14-17-13-8-6-5-7-12(13)15(20)19(14)4/h5-8,11,16H,9-10H2,1-4H3/p+2/t11-/m1/s1
InChIKeyDOCPCFHZPBWLLE-LLVKDONJSA-P
MW276.38 g/mol
LogP-1.30
Rot. Bonds5

About dimethyl-[2-[[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]azaniumyl]ethyl]azanium

dimethyl-[2-[[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]azaniumyl]ethyl]azanium (PubChem CID 7440089) has the molecular formula C15H24N4O+2 and a molecular weight of 276.38 g/mol. Its IUPAC name is dimethyl-[2-[[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]azaniumyl]ethyl]azanium.

Molecular Properties

Compound Namedimethyl-[2-[[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]azaniumyl]ethyl]azanium
PubChem CID7440089
Molecular FormulaC15H24N4O+2
Molecular Weight276.38 g/mol
Exact Mass276.19
IUPAC Namedimethyl-[2-[[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]azaniumyl]ethyl]azanium
SMILESC[C@@H]([NH2+]CC[NH+](C)C)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C15H22N4O/c1-11(16-9-10-18(2)3)14-17-13-8-6-5-7-12(13)15(20)19(14)4/h5-8,11,16H,9-10H2,1-4H3/p+2/t11-/m1/s1
InChIKeyDOCPCFHZPBWLLE-LLVKDONJSA-P
XLogP-1.30
TPSA55.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze dimethyl-[2-[[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]azaniumyl]ethyl]azanium with MolForge

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Related Compounds

dimethyl-[2-[[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)propyl]azaniumyl]ethyl]azanium
CID 7412735
[(1S)-1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(3-methylbutyl)azanium
CID 7400132
butyl-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]azanium
CID 7288561
2-[[(1R)-1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]azaniumyl]ethyl-dimethylazanium
CID 7373471
[(1R)-1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-pentylazanium
CID 7201809
[(1S)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium
CID 7365239
[(1S)-1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium
CID 7231317
[(1S)-1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methoxyethyl)azanium
CID 7201794
[(1R)-1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methylpropyl)azanium
CID 6961786
2-[(1S)-1-(ethylamino)propyl]-3-methylquinazolin-4-one
CID 769516
2-[(1R)-1-(benzylamino)propyl]-3-methylquinazolin-4-one
CID 769523
methyl-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]azanium
CID 6941068

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]azaniumyl]ethyl]azanium?
The IUPAC name of dimethyl-[2-[[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]azaniumyl]ethyl]azanium (CID 7440089) is dimethyl-[2-[[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]azaniumyl]ethyl]azanium.
What is the SMILES notation for dimethyl-[2-[[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]azaniumyl]ethyl]azanium?
The canonical SMILES for dimethyl-[2-[[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]azaniumyl]ethyl]azanium is C[C@@H]([NH2+]CC[NH+](C)C)c1nc2ccccc2c(=O)n1C.
What is the InChIKey of dimethyl-[2-[[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]azaniumyl]ethyl]azanium?
The InChIKey is DOCPCFHZPBWLLE-LLVKDONJSA-P. The full InChI is InChI=1S/C15H22N4O/c1-11(16-9-10-18(2)3)14-17-13-8-6-5-7-12(13)15(20)19(14)4/h5-8,11,16H,9-10H2,1-4H3/p+2/t11-/m1/s1.
What are the key properties of dimethyl-[2-[[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]azaniumyl]ethyl]azanium?
dimethyl-[2-[[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]azaniumyl]ethyl]azanium has a molecular weight of 276.38 g/mol, XLogP of -1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]azaniumyl]ethyl]azanium is sourced from PubChem (CID 7440089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).