2-[(1R)-1-(butylamino)ethyl]-3-propylquinazolin-4-one

C17H25N3O — CID 7283524

IUPAC2-[(1R)-1-(butylamino)ethyl]-3-propylquinazolin-4-one
SMILESCCCCN[C@H](C)c1nc2ccccc2c(=O)n1CCC
InChIInChI=1S/C17H25N3O/c1-4-6-11-18-13(3)16-19-15-10-8-7-9-14(15)17(21)20(16)12-5-2/h7-10,13,18H,4-6,11-12H2,1-3H3/t13-/m1/s1
InChIKeyHSXBFIOOLBAQQG-CYBMUJFWSA-N
MW287.41 g/mol
LogP3.26
Rot. Bonds7

About 2-[(1R)-1-(butylamino)ethyl]-3-propylquinazolin-4-one

2-[(1R)-1-(butylamino)ethyl]-3-propylquinazolin-4-one (PubChem CID 7283524) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[(1R)-1-(butylamino)ethyl]-3-propylquinazolin-4-one.

Molecular Properties

Compound Name2-[(1R)-1-(butylamino)ethyl]-3-propylquinazolin-4-one
PubChem CID7283524
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[(1R)-1-(butylamino)ethyl]-3-propylquinazolin-4-one
SMILESCCCCN[C@H](C)c1nc2ccccc2c(=O)n1CCC
InChIInChI=1S/C17H25N3O/c1-4-6-11-18-13(3)16-19-15-10-8-7-9-14(15)17(21)20(16)12-5-2/h7-10,13,18H,4-6,11-12H2,1-3H3/t13-/m1/s1
InChIKeyHSXBFIOOLBAQQG-CYBMUJFWSA-N
XLogP3.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.26
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-[(1S)-1-(butylamino)ethyl]-3-propylquinazolin-4-one
CID 7283521
2-[(1S)-1-(2-methylpropylamino)ethyl]-3-propylquinazolin-4-one
CID 769666
2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]-3-propylquinazolin-4-one
CID 769702
2-[(1S)-1-(benzylamino)ethyl]-3-propylquinazolin-4-one
CID 769672
3-ethyl-2-[1-(propylamino)ethyl]quinazolin-4-one
CID 5203497
methyl-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]azanium
CID 6941068
3-(2-methoxyethyl)-2-[(1S)-1-(propylamino)ethyl]quinazolin-4-one
CID 7231165
2-[1-(butylamino)ethyl]-3-(2-methylphenyl)quinazolin-4-one
CID 3634718
2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 7493416
2-[(1S)-1-(butylamino)ethyl]-3-(4-fluorophenyl)quinazolin-4-one
CID 7481861
3-benzyl-2-[(1R)-1-(ethylamino)ethyl]quinazolin-4-one
CID 769316
2-[(1S)-1-(butylamino)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 7236674

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(butylamino)ethyl]-3-propylquinazolin-4-one?
The IUPAC name of 2-[(1R)-1-(butylamino)ethyl]-3-propylquinazolin-4-one (CID 7283524) is 2-[(1R)-1-(butylamino)ethyl]-3-propylquinazolin-4-one.
What is the SMILES notation for 2-[(1R)-1-(butylamino)ethyl]-3-propylquinazolin-4-one?
The canonical SMILES for 2-[(1R)-1-(butylamino)ethyl]-3-propylquinazolin-4-one is CCCCN[C@H](C)c1nc2ccccc2c(=O)n1CCC.
What is the InChIKey of 2-[(1R)-1-(butylamino)ethyl]-3-propylquinazolin-4-one?
The InChIKey is HSXBFIOOLBAQQG-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-6-11-18-13(3)16-19-15-10-8-7-9-14(15)17(21)20(16)12-5-2/h7-10,13,18H,4-6,11-12H2,1-3H3/t13-/m1/s1.
What are the key properties of 2-[(1R)-1-(butylamino)ethyl]-3-propylquinazolin-4-one?
2-[(1R)-1-(butylamino)ethyl]-3-propylquinazolin-4-one has a molecular weight of 287.41 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(butylamino)ethyl]-3-propylquinazolin-4-one is sourced from PubChem (CID 7283524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).