[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-pentylazanium

C24H32N3O2+ — CID 7201737

IUPAC[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-pentylazanium
SMILESCCCCC[NH2+][C@H](CC)c1nc2ccccc2c(=O)n1-c1ccc(OCC)cc1
InChIInChI=1S/C24H31N3O2/c1-4-7-10-17-25-21(5-2)23-26-22-12-9-8-11-20(22)24(28)27(23)18-13-15-19(16-14-18)29-6-3/h8-9,11-16,21,25H,4-7,10,17H2,1-3H3/p+1/t21-/m1/s1
InChIKeyYMTUHMOSYQEQLN-OAQYLSRUSA-O
MW394.54 g/mol
LogP3.99
Rot. Bonds10

About [(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-pentylazanium

[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-pentylazanium (PubChem CID 7201737) has the molecular formula C24H32N3O2+ and a molecular weight of 394.54 g/mol. Its IUPAC name is [(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-pentylazanium.

Molecular Properties

Compound Name[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-pentylazanium
PubChem CID7201737
Molecular FormulaC24H32N3O2+
Molecular Weight394.54 g/mol
Exact Mass394.25
IUPAC Name[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-pentylazanium
SMILESCCCCC[NH2+][C@H](CC)c1nc2ccccc2c(=O)n1-c1ccc(OCC)cc1
InChIInChI=1S/C24H31N3O2/c1-4-7-10-17-25-21(5-2)23-26-22-12-9-8-11-20(22)24(28)27(23)18-13-15-19(16-14-18)29-6-3/h8-9,11-16,21,25H,4-7,10,17H2,1-3H3/p+1/t21-/m1/s1
InChIKeyYMTUHMOSYQEQLN-OAQYLSRUSA-O
XLogP3.99
TPSA60.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-bromoethyl)-3-(4-ethoxyphenyl)quinazolin-4-one
CID 58601638
ethyl-[(1R)-1-(4-oxo-3-phenylquinazolin-2-yl)propyl]azanium
CID 7395887
[(1R)-1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-pentylazanium
CID 7201809
3-(4-ethoxyphenyl)-2-[(1S)-1-(methylamino)ethyl]quinazolin-4-one
CID 769872
butyl-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]azanium
CID 7288561
[(1S)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium
CID 7365239
N-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42721644
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)hexanamide
CID 42728546
2-[[(1R)-1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]azaniumyl]ethyl-dimethylazanium
CID 7373471
2-amino-3-(4-ethoxyphenyl)quinazolin-4-one
CID 71652489
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)heptanamide
CID 42721462
1-butyl-3-tert-butyl-1-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 42716709

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-pentylazanium?
The IUPAC name of [(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-pentylazanium (CID 7201737) is [(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-pentylazanium.
What is the SMILES notation for [(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-pentylazanium?
The canonical SMILES for [(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-pentylazanium is CCCCC[NH2+][C@H](CC)c1nc2ccccc2c(=O)n1-c1ccc(OCC)cc1.
What is the InChIKey of [(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-pentylazanium?
The InChIKey is YMTUHMOSYQEQLN-OAQYLSRUSA-O. The full InChI is InChI=1S/C24H31N3O2/c1-4-7-10-17-25-21(5-2)23-26-22-12-9-8-11-20(22)24(28)27(23)18-13-15-19(16-14-18)29-6-3/h8-9,11-16,21,25H,4-7,10,17H2,1-3H3/p+1/t21-/m1/s1.
What are the key properties of [(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-pentylazanium?
[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-pentylazanium has a molecular weight of 394.54 g/mol, XLogP of 3.99, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-pentylazanium is sourced from PubChem (CID 7201737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).