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

C16H23N3O2 — CID 7231165

IUPAC3-(2-methoxyethyl)-2-[(1S)-1-(propylamino)ethyl]quinazolin-4-one
SMILESCCCN[C@@H](C)c1nc2ccccc2c(=O)n1CCOC
InChIInChI=1S/C16H23N3O2/c1-4-9-17-12(2)15-18-14-8-6-5-7-13(14)16(20)19(15)10-11-21-3/h5-8,12,17H,4,9-11H2,1-3H3/t12-/m0/s1
InChIKeyXJRWDWGPUHMAOI-LBPRGKRZSA-N
MW289.38 g/mol
LogP2.10
Rot. Bonds7

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

3-(2-methoxyethyl)-2-[(1S)-1-(propylamino)ethyl]quinazolin-4-one (PubChem CID 7231165) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-2-[(1S)-1-(propylamino)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-2-[(1S)-1-(propylamino)ethyl]quinazolin-4-one
PubChem CID7231165
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-(2-methoxyethyl)-2-[(1S)-1-(propylamino)ethyl]quinazolin-4-one
SMILESCCCN[C@@H](C)c1nc2ccccc2c(=O)n1CCOC
InChIInChI=1S/C16H23N3O2/c1-4-9-17-12(2)15-18-14-8-6-5-7-13(14)16(20)19(15)10-11-21-3/h5-8,12,17H,4,9-11H2,1-3H3/t12-/m0/s1
InChIKeyXJRWDWGPUHMAOI-LBPRGKRZSA-N
XLogP2.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 7493416
3-ethyl-2-[1-(propylamino)ethyl]quinazolin-4-one
CID 5203497
3-(2-methoxyethyl)-2-[(1R)-1-(2-methylpropylamino)propyl]quinazolin-4-one
CID 7365393
2-[(1R)-1-(butylamino)ethyl]-3-propylquinazolin-4-one
CID 7283524
2-[(1S)-1-(butylamino)ethyl]-3-propylquinazolin-4-one
CID 7283521
2-[(1R)-1-(hexylamino)propyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 7226539
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
N-[(1S)-1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide
CID 7347422
2-[(1S)-1-(benzylamino)ethyl]-3-propylquinazolin-4-one
CID 769672
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

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-2-[(1S)-1-(propylamino)ethyl]quinazolin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-2-[(1S)-1-(propylamino)ethyl]quinazolin-4-one (CID 7231165) is 3-(2-methoxyethyl)-2-[(1S)-1-(propylamino)ethyl]quinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-2-[(1S)-1-(propylamino)ethyl]quinazolin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-2-[(1S)-1-(propylamino)ethyl]quinazolin-4-one is CCCN[C@@H](C)c1nc2ccccc2c(=O)n1CCOC.
What is the InChIKey of 3-(2-methoxyethyl)-2-[(1S)-1-(propylamino)ethyl]quinazolin-4-one?
The InChIKey is XJRWDWGPUHMAOI-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-9-17-12(2)15-18-14-8-6-5-7-13(14)16(20)19(15)10-11-21-3/h5-8,12,17H,4,9-11H2,1-3H3/t12-/m0/s1.
What are the key properties of 3-(2-methoxyethyl)-2-[(1S)-1-(propylamino)ethyl]quinazolin-4-one?
3-(2-methoxyethyl)-2-[(1S)-1-(propylamino)ethyl]quinazolin-4-one has a molecular weight of 289.38 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-2-[(1S)-1-(propylamino)ethyl]quinazolin-4-one is sourced from PubChem (CID 7231165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).