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

C20H23N3O — CID 769672

IUPAC2-[(1S)-1-(benzylamino)ethyl]-3-propylquinazolin-4-one
SMILESCCCn1c([C@H](C)NCc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C20H23N3O/c1-3-13-23-19(15(2)21-14-16-9-5-4-6-10-16)22-18-12-8-7-11-17(18)20(23)24/h4-12,15,21H,3,13-14H2,1-2H3/t15-/m0/s1
InChIKeyJNOZCDQFZFOEJP-HNNXBMFYSA-N
MW321.42 g/mol
LogP3.66
Rot. Bonds6

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

2-[(1S)-1-(benzylamino)ethyl]-3-propylquinazolin-4-one (PubChem CID 769672) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[(1S)-1-(benzylamino)ethyl]-3-propylquinazolin-4-one.

Molecular Properties

Compound Name2-[(1S)-1-(benzylamino)ethyl]-3-propylquinazolin-4-one
PubChem CID769672
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-[(1S)-1-(benzylamino)ethyl]-3-propylquinazolin-4-one
SMILESCCCn1c([C@H](C)NCc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C20H23N3O/c1-3-13-23-19(15(2)21-14-16-9-5-4-6-10-16)22-18-12-8-7-11-17(18)20(23)24/h4-12,15,21H,3,13-14H2,1-2H3/t15-/m0/s1
InChIKeyJNOZCDQFZFOEJP-HNNXBMFYSA-N
XLogP3.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1S)-1-(2-methylpropylamino)ethyl]-3-propylquinazolin-4-one
CID 769666
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-[2-(dimethylamino)ethylamino]ethyl]-3-propylquinazolin-4-one
CID 769702
3-benzyl-2-[(1R)-1-(ethylamino)ethyl]quinazolin-4-one
CID 769316
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-benzyl-2-[(1S)-1-(2-methylpropylamino)ethyl]quinazolin-4-one
CID 769323
3-(2-methoxyethyl)-2-[(1S)-1-(propylamino)ethyl]quinazolin-4-one
CID 7231165
3-benzyl-2-[(1S)-1-(benzylamino)propyl]quinazolin-4-one
CID 1051972
3-benzyl-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
CID 42713300
2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 7493416

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(benzylamino)ethyl]-3-propylquinazolin-4-one?
The IUPAC name of 2-[(1S)-1-(benzylamino)ethyl]-3-propylquinazolin-4-one (CID 769672) is 2-[(1S)-1-(benzylamino)ethyl]-3-propylquinazolin-4-one.
What is the SMILES notation for 2-[(1S)-1-(benzylamino)ethyl]-3-propylquinazolin-4-one?
The canonical SMILES for 2-[(1S)-1-(benzylamino)ethyl]-3-propylquinazolin-4-one is CCCn1c([C@H](C)NCc2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 2-[(1S)-1-(benzylamino)ethyl]-3-propylquinazolin-4-one?
The InChIKey is JNOZCDQFZFOEJP-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-3-13-23-19(15(2)21-14-16-9-5-4-6-10-16)22-18-12-8-7-11-17(18)20(23)24/h4-12,15,21H,3,13-14H2,1-2H3/t15-/m0/s1.
What are the key properties of 2-[(1S)-1-(benzylamino)ethyl]-3-propylquinazolin-4-one?
2-[(1S)-1-(benzylamino)ethyl]-3-propylquinazolin-4-one has a molecular weight of 321.42 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(benzylamino)ethyl]-3-propylquinazolin-4-one is sourced from PubChem (CID 769672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).