[(1R)-1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-propan-2-ylazanium

C16H24N3O+ — CID 6941034

IUPAC[(1R)-1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-propan-2-ylazanium
SMILESCC[C@@H]([NH2+]C(C)C)c1nc2ccccc2c(=O)n1CC
InChIInChI=1S/C16H23N3O/c1-5-13(17-11(3)4)15-18-14-10-8-7-9-12(14)16(20)19(15)6-2/h7-11,13,17H,5-6H2,1-4H3/p+1/t13-/m1/s1
InChIKeyJEZDLYRETUXZHH-CYBMUJFWSA-O
MW274.39 g/mol
LogP1.84
Rot. Bonds5

About [(1R)-1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-propan-2-ylazanium

[(1R)-1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-propan-2-ylazanium (PubChem CID 6941034) has the molecular formula C16H24N3O+ and a molecular weight of 274.39 g/mol. Its IUPAC name is [(1R)-1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-propan-2-ylazanium.

Molecular Properties

Compound Name[(1R)-1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-propan-2-ylazanium
PubChem CID6941034
Molecular FormulaC16H24N3O+
Molecular Weight274.39 g/mol
Exact Mass274.19
IUPAC Name[(1R)-1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-propan-2-ylazanium
SMILESCC[C@@H]([NH2+]C(C)C)c1nc2ccccc2c(=O)n1CC
InChIInChI=1S/C16H23N3O/c1-5-13(17-11(3)4)15-18-14-10-8-7-9-12(14)16(20)19(15)6-2/h7-11,13,17H,5-6H2,1-4H3/p+1/t13-/m1/s1
InChIKeyJEZDLYRETUXZHH-CYBMUJFWSA-O
XLogP1.84
TPSA51.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-methylazanium
CID 6941009
3-ethyl-2-[1-(propylamino)ethyl]quinazolin-4-one
CID 5203497
dimethyl-[2-[[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)propyl]azaniumyl]ethyl]azanium
CID 7412735
3-ethyl-2-[(1S)-1-(propylamino)propyl]quinazolin-4-one
CID 7301405
3-ethyl-2-(1-piperazin-1-ylpropyl)quinazolin-4-one
CID 3400950
methyl-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]azanium
CID 6941068
3-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-propan-2-ylquinazolin-4-one
CID 86167686
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)benzenesulfonamide
CID 42712027
ethyl-[(1R)-1-(4-oxo-3-phenylquinazolin-2-yl)propyl]azanium
CID 7395887
3-ethyl-2-phenylquinazolin-4-one
CID 12626608
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)propanamide
CID 42717022
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methylpropyl)butanamide
CID 42711613

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-propan-2-ylazanium?
The IUPAC name of [(1R)-1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-propan-2-ylazanium (CID 6941034) is [(1R)-1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-propan-2-ylazanium.
What is the SMILES notation for [(1R)-1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-propan-2-ylazanium?
The canonical SMILES for [(1R)-1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-propan-2-ylazanium is CC[C@@H]([NH2+]C(C)C)c1nc2ccccc2c(=O)n1CC.
What is the InChIKey of [(1R)-1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-propan-2-ylazanium?
The InChIKey is JEZDLYRETUXZHH-CYBMUJFWSA-O. The full InChI is InChI=1S/C16H23N3O/c1-5-13(17-11(3)4)15-18-14-10-8-7-9-12(14)16(20)19(15)6-2/h7-11,13,17H,5-6H2,1-4H3/p+1/t13-/m1/s1.
What are the key properties of [(1R)-1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-propan-2-ylazanium?
[(1R)-1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-propan-2-ylazanium has a molecular weight of 274.39 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-propan-2-ylazanium is sourced from PubChem (CID 6941034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).