2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyethyl)quinazolin-4-one

C15H21N3O2 — CID 7493416

IUPAC2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyethyl)quinazolin-4-one
SMILESCCN[C@@H](C)c1nc2ccccc2c(=O)n1CCOC
InChIInChI=1S/C15H21N3O2/c1-4-16-11(2)14-17-13-8-6-5-7-12(13)15(19)18(14)9-10-20-3/h5-8,11,16H,4,9-10H2,1-3H3/t11-/m0/s1
InChIKeyVKHOEPKMLBSPHI-NSHDSACASA-N
MW275.35 g/mol
LogP1.71
Rot. Bonds6

About 2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyethyl)quinazolin-4-one

2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyethyl)quinazolin-4-one (PubChem CID 7493416) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyethyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyethyl)quinazolin-4-one
PubChem CID7493416
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyethyl)quinazolin-4-one
SMILESCCN[C@@H](C)c1nc2ccccc2c(=O)n1CCOC
InChIInChI=1S/C15H21N3O2/c1-4-16-11(2)14-17-13-8-6-5-7-12(13)15(19)18(14)9-10-20-3/h5-8,11,16H,4,9-10H2,1-3H3/t11-/m0/s1
InChIKeyVKHOEPKMLBSPHI-NSHDSACASA-N
XLogP1.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
3-benzyl-2-[(1R)-1-(ethylamino)ethyl]quinazolin-4-one
CID 769316
N-[(1S)-1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide
CID 7347422
1-[(1S)-1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-3-(4-methylphenyl)urea
CID 7217124
1-[2,6-di(propan-2-yl)phenyl]-3-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 4032310
2-[(1R)-1-(hexylamino)propyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 7226539
1-[(1S)-1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-3-(4-propan-2-ylphenyl)urea
CID 7261145
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-methylpropylamino)ethyl]-3-propylquinazolin-4-one
CID 769666
1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 3971646

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyethyl)quinazolin-4-one?
The IUPAC name of 2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyethyl)quinazolin-4-one (CID 7493416) is 2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyethyl)quinazolin-4-one.
What is the SMILES notation for 2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyethyl)quinazolin-4-one?
The canonical SMILES for 2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyethyl)quinazolin-4-one is CCN[C@@H](C)c1nc2ccccc2c(=O)n1CCOC.
What is the InChIKey of 2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyethyl)quinazolin-4-one?
The InChIKey is VKHOEPKMLBSPHI-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-16-11(2)14-17-13-8-6-5-7-12(13)15(19)18(14)9-10-20-3/h5-8,11,16H,4,9-10H2,1-3H3/t11-/m0/s1.
What are the key properties of 2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyethyl)quinazolin-4-one?
2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyethyl)quinazolin-4-one has a molecular weight of 275.35 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyethyl)quinazolin-4-one is sourced from PubChem (CID 7493416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).