3-benzyl-2-[(1R)-1-(ethylamino)ethyl]quinazolin-4-one

C19H21N3O — CID 769316

IUPAC3-benzyl-2-[(1R)-1-(ethylamino)ethyl]quinazolin-4-one
SMILESCCN[C@H](C)c1nc2ccccc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C19H21N3O/c1-3-20-14(2)18-21-17-12-8-7-11-16(17)19(23)22(18)13-15-9-5-4-6-10-15/h4-12,14,20H,3,13H2,1-2H3/t14-/m1/s1
InChIKeySPWFHEKZGHTZGB-CQSZACIVSA-N
MW307.40 g/mol
LogP3.12
Rot. Bonds5

About 3-benzyl-2-[(1R)-1-(ethylamino)ethyl]quinazolin-4-one

3-benzyl-2-[(1R)-1-(ethylamino)ethyl]quinazolin-4-one (PubChem CID 769316) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-benzyl-2-[(1R)-1-(ethylamino)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-benzyl-2-[(1R)-1-(ethylamino)ethyl]quinazolin-4-one
PubChem CID769316
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name3-benzyl-2-[(1R)-1-(ethylamino)ethyl]quinazolin-4-one
SMILESCCN[C@H](C)c1nc2ccccc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C19H21N3O/c1-3-20-14(2)18-21-17-12-8-7-11-16(17)19(23)22(18)13-15-9-5-4-6-10-15/h4-12,14,20H,3,13H2,1-2H3/t14-/m1/s1
InChIKeySPWFHEKZGHTZGB-CQSZACIVSA-N
XLogP3.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.12
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
3-benzyl-2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]quinazolin-4-one
CID 1052006
2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 7493416
3-benzyl-2-[(1S)-1-(benzylamino)propyl]quinazolin-4-one
CID 1051972
2-[(1S)-1-(benzylamino)ethyl]-3-propylquinazolin-4-one
CID 769672
3-ethyl-2-[1-(propylamino)ethyl]quinazolin-4-one
CID 5203497
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-(2-methoxyethyl)-2-[(1S)-1-(propylamino)ethyl]quinazolin-4-one
CID 7231165
2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 769883

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-[(1R)-1-(ethylamino)ethyl]quinazolin-4-one?
The IUPAC name of 3-benzyl-2-[(1R)-1-(ethylamino)ethyl]quinazolin-4-one (CID 769316) is 3-benzyl-2-[(1R)-1-(ethylamino)ethyl]quinazolin-4-one.
What is the SMILES notation for 3-benzyl-2-[(1R)-1-(ethylamino)ethyl]quinazolin-4-one?
The canonical SMILES for 3-benzyl-2-[(1R)-1-(ethylamino)ethyl]quinazolin-4-one is CCN[C@H](C)c1nc2ccccc2c(=O)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-[(1R)-1-(ethylamino)ethyl]quinazolin-4-one?
The InChIKey is SPWFHEKZGHTZGB-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21N3O/c1-3-20-14(2)18-21-17-12-8-7-11-16(17)19(23)22(18)13-15-9-5-4-6-10-15/h4-12,14,20H,3,13H2,1-2H3/t14-/m1/s1.
What are the key properties of 3-benzyl-2-[(1R)-1-(ethylamino)ethyl]quinazolin-4-one?
3-benzyl-2-[(1R)-1-(ethylamino)ethyl]quinazolin-4-one has a molecular weight of 307.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-[(1R)-1-(ethylamino)ethyl]quinazolin-4-one is sourced from PubChem (CID 769316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).