dimethyl-[2-[[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)propyl]azaniumyl]ethyl]azanium

C18H30N4O+2 — CID 7412735

IUPACdimethyl-[2-[[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)propyl]azaniumyl]ethyl]azanium
SMILESCCCn1c([C@H](CC)[NH2+]CC[NH+](C)C)nc2ccccc2c1=O
InChIInChI=1S/C18H28N4O/c1-5-12-22-17(15(6-2)19-11-13-21(3)4)20-16-10-8-7-9-14(16)18(22)23/h7-10,15,19H,5-6,11-13H2,1-4H3/p+2/t15-/m0/s1
InChIKeyLXIQCTGRARJZQP-HNNXBMFYSA-P
MW318.46 g/mol
LogP-0.03
Rot. Bonds8

About dimethyl-[2-[[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)propyl]azaniumyl]ethyl]azanium

dimethyl-[2-[[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)propyl]azaniumyl]ethyl]azanium (PubChem CID 7412735) has the molecular formula C18H30N4O+2 and a molecular weight of 318.46 g/mol. Its IUPAC name is dimethyl-[2-[[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)propyl]azaniumyl]ethyl]azanium.

Molecular Properties

Compound Namedimethyl-[2-[[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)propyl]azaniumyl]ethyl]azanium
PubChem CID7412735
Molecular FormulaC18H30N4O+2
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Namedimethyl-[2-[[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)propyl]azaniumyl]ethyl]azanium
SMILESCCCn1c([C@H](CC)[NH2+]CC[NH+](C)C)nc2ccccc2c1=O
InChIInChI=1S/C18H28N4O/c1-5-12-22-17(15(6-2)19-11-13-21(3)4)20-16-10-8-7-9-14(16)18(22)23/h7-10,15,19H,5-6,11-13H2,1-4H3/p+2/t15-/m0/s1
InChIKeyLXIQCTGRARJZQP-HNNXBMFYSA-P
XLogP-0.03
TPSA55.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze dimethyl-[2-[[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)propyl]azaniumyl]ethyl]azanium with MolForge

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Related Compounds

2-[[(1R)-1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]azaniumyl]ethyl-dimethylazanium
CID 7373471
dimethyl-[2-[[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]azaniumyl]ethyl]azanium
CID 7440089
butyl-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]azanium
CID 7288561
methyl-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]azanium
CID 6941068
[(1R)-1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-propan-2-ylazanium
CID 6941034
2-[(1S)-1-(2-methylpropylamino)ethyl]-3-propylquinazolin-4-one
CID 769666
2-[(1S)-1-(butylamino)ethyl]-3-propylquinazolin-4-one
CID 7283521
2-[(1R)-1-(butylamino)ethyl]-3-propylquinazolin-4-one
CID 7283524
2-[(1S)-1-(benzylamino)ethyl]-3-propylquinazolin-4-one
CID 769672
ethyl-[(1R)-1-(4-oxo-3-phenylquinazolin-2-yl)propyl]azanium
CID 7395887
2-[(1R)-1-piperazin-1-ylpropyl]-3-propylquinazolin-4-one
CID 769728
2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]-3-propylquinazolin-4-one
CID 769702

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)propyl]azaniumyl]ethyl]azanium?
The IUPAC name of dimethyl-[2-[[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)propyl]azaniumyl]ethyl]azanium (CID 7412735) is dimethyl-[2-[[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)propyl]azaniumyl]ethyl]azanium.
What is the SMILES notation for dimethyl-[2-[[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)propyl]azaniumyl]ethyl]azanium?
The canonical SMILES for dimethyl-[2-[[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)propyl]azaniumyl]ethyl]azanium is CCCn1c([C@H](CC)[NH2+]CC[NH+](C)C)nc2ccccc2c1=O.
What is the InChIKey of dimethyl-[2-[[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)propyl]azaniumyl]ethyl]azanium?
The InChIKey is LXIQCTGRARJZQP-HNNXBMFYSA-P. The full InChI is InChI=1S/C18H28N4O/c1-5-12-22-17(15(6-2)19-11-13-21(3)4)20-16-10-8-7-9-14(16)18(22)23/h7-10,15,19H,5-6,11-13H2,1-4H3/p+2/t15-/m0/s1.
What are the key properties of dimethyl-[2-[[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)propyl]azaniumyl]ethyl]azanium?
dimethyl-[2-[[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)propyl]azaniumyl]ethyl]azanium has a molecular weight of 318.46 g/mol, XLogP of -0.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)propyl]azaniumyl]ethyl]azanium is sourced from PubChem (CID 7412735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).