2-[(1S)-1-(2-methylpropylamino)ethyl]-3-propylquinazolin-4-one

C17H25N3O — CID 769666

IUPAC2-[(1S)-1-(2-methylpropylamino)ethyl]-3-propylquinazolin-4-one
SMILESCCCn1c([C@H](C)NCC(C)C)nc2ccccc2c1=O
InChIInChI=1S/C17H25N3O/c1-5-10-20-16(13(4)18-11-12(2)3)19-15-9-7-6-8-14(15)17(20)21/h6-9,12-13,18H,5,10-11H2,1-4H3/t13-/m0/s1
InChIKeyMGJPXLSEVOGLKU-ZDUSSCGKSA-N
MW287.41 g/mol
LogP3.11
Rot. Bonds6

About 2-[(1S)-1-(2-methylpropylamino)ethyl]-3-propylquinazolin-4-one

2-[(1S)-1-(2-methylpropylamino)ethyl]-3-propylquinazolin-4-one (PubChem CID 769666) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[(1S)-1-(2-methylpropylamino)ethyl]-3-propylquinazolin-4-one.

Molecular Properties

Compound Name2-[(1S)-1-(2-methylpropylamino)ethyl]-3-propylquinazolin-4-one
PubChem CID769666
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[(1S)-1-(2-methylpropylamino)ethyl]-3-propylquinazolin-4-one
SMILESCCCn1c([C@H](C)NCC(C)C)nc2ccccc2c1=O
InChIInChI=1S/C17H25N3O/c1-5-10-20-16(13(4)18-11-12(2)3)19-15-9-7-6-8-14(15)17(20)21/h6-9,12-13,18H,5,10-11H2,1-4H3/t13-/m0/s1
InChIKeyMGJPXLSEVOGLKU-ZDUSSCGKSA-N
XLogP3.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-2-[(1S)-1-(2-methylpropylamino)ethyl]quinazolin-4-one
CID 769323
2-[(1R)-1-(butylamino)ethyl]-3-propylquinazolin-4-one
CID 7283524
2-[(1S)-1-(butylamino)ethyl]-3-propylquinazolin-4-one
CID 7283521
2-[(1S)-1-(benzylamino)ethyl]-3-propylquinazolin-4-one
CID 769672
2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]-3-propylquinazolin-4-one
CID 769702
methyl-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]azanium
CID 6941068
3-ethyl-2-[1-(propylamino)ethyl]quinazolin-4-one
CID 5203497
3-(2-methoxyethyl)-2-[(1S)-1-(propylamino)ethyl]quinazolin-4-one
CID 7231165
3-(2-methoxyethyl)-2-[(1R)-1-(2-methylpropylamino)propyl]quinazolin-4-one
CID 7365393
2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 7493416
3-benzyl-2-[(1R)-1-(ethylamino)ethyl]quinazolin-4-one
CID 769316
1-methyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-3-phenylurea
CID 42713756

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(2-methylpropylamino)ethyl]-3-propylquinazolin-4-one?
The IUPAC name of 2-[(1S)-1-(2-methylpropylamino)ethyl]-3-propylquinazolin-4-one (CID 769666) is 2-[(1S)-1-(2-methylpropylamino)ethyl]-3-propylquinazolin-4-one.
What is the SMILES notation for 2-[(1S)-1-(2-methylpropylamino)ethyl]-3-propylquinazolin-4-one?
The canonical SMILES for 2-[(1S)-1-(2-methylpropylamino)ethyl]-3-propylquinazolin-4-one is CCCn1c([C@H](C)NCC(C)C)nc2ccccc2c1=O.
What is the InChIKey of 2-[(1S)-1-(2-methylpropylamino)ethyl]-3-propylquinazolin-4-one?
The InChIKey is MGJPXLSEVOGLKU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-10-20-16(13(4)18-11-12(2)3)19-15-9-7-6-8-14(15)17(20)21/h6-9,12-13,18H,5,10-11H2,1-4H3/t13-/m0/s1.
What are the key properties of 2-[(1S)-1-(2-methylpropylamino)ethyl]-3-propylquinazolin-4-one?
2-[(1S)-1-(2-methylpropylamino)ethyl]-3-propylquinazolin-4-one has a molecular weight of 287.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(2-methylpropylamino)ethyl]-3-propylquinazolin-4-one is sourced from PubChem (CID 769666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).