3-(2-methoxyethyl)-2-[(1R)-1-(2-methylpropylamino)propyl]quinazolin-4-one

C18H27N3O2 — CID 7365393

IUPAC3-(2-methoxyethyl)-2-[(1R)-1-(2-methylpropylamino)propyl]quinazolin-4-one
SMILESCC[C@@H](NCC(C)C)c1nc2ccccc2c(=O)n1CCOC
InChIInChI=1S/C18H27N3O2/c1-5-15(19-12-13(2)3)17-20-16-9-7-6-8-14(16)18(22)21(17)10-11-23-4/h6-9,13,15,19H,5,10-12H2,1-4H3/t15-/m1/s1
InChIKeyXXJRRZBUYPHGOV-OAHLLOKOSA-N
MW317.43 g/mol
LogP2.74
Rot. Bonds8

About 3-(2-methoxyethyl)-2-[(1R)-1-(2-methylpropylamino)propyl]quinazolin-4-one

3-(2-methoxyethyl)-2-[(1R)-1-(2-methylpropylamino)propyl]quinazolin-4-one (PubChem CID 7365393) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-2-[(1R)-1-(2-methylpropylamino)propyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-2-[(1R)-1-(2-methylpropylamino)propyl]quinazolin-4-one
PubChem CID7365393
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name3-(2-methoxyethyl)-2-[(1R)-1-(2-methylpropylamino)propyl]quinazolin-4-one
SMILESCC[C@@H](NCC(C)C)c1nc2ccccc2c(=O)n1CCOC
InChIInChI=1S/C18H27N3O2/c1-5-15(19-12-13(2)3)17-20-16-9-7-6-8-14(16)18(22)21(17)10-11-23-4/h6-9,13,15,19H,5,10-12H2,1-4H3/t15-/m1/s1
InChIKeyXXJRRZBUYPHGOV-OAHLLOKOSA-N
XLogP2.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1R)-1-(hexylamino)propyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 7226539
2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 7493416
3-(2-methoxyethyl)-2-[(1S)-1-(propylamino)ethyl]quinazolin-4-one
CID 7231165
2-[(1S)-1-(2-methylpropylamino)ethyl]-3-propylquinazolin-4-one
CID 769666
3-benzyl-7-chloro-2-[1-(2-methylpropylamino)propyl]quinazolin-4-one
CID 20785808
3-benzyl-2-[(1S)-1-(2-methylpropylamino)ethyl]quinazolin-4-one
CID 769323
3-ethyl-2-[(1S)-1-(propylamino)propyl]quinazolin-4-one
CID 7301405
3-benzyl-2-[(1S)-1-(benzylamino)propyl]quinazolin-4-one
CID 1051972
3-(2-methoxyethyl)-2-[(1S)-1-piperazine-1,4-diium-1-ylpropyl]quinazolin-4-one
CID 7347416
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)-2-phenylacetamide
CID 42713459
2-[(1S)-1-(ethylamino)propyl]-3-methylquinazolin-4-one
CID 769516
N-[(1S)-1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide
CID 7347422

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-2-[(1R)-1-(2-methylpropylamino)propyl]quinazolin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-2-[(1R)-1-(2-methylpropylamino)propyl]quinazolin-4-one (CID 7365393) is 3-(2-methoxyethyl)-2-[(1R)-1-(2-methylpropylamino)propyl]quinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-2-[(1R)-1-(2-methylpropylamino)propyl]quinazolin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-2-[(1R)-1-(2-methylpropylamino)propyl]quinazolin-4-one is CC[C@@H](NCC(C)C)c1nc2ccccc2c(=O)n1CCOC.
What is the InChIKey of 3-(2-methoxyethyl)-2-[(1R)-1-(2-methylpropylamino)propyl]quinazolin-4-one?
The InChIKey is XXJRRZBUYPHGOV-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-5-15(19-12-13(2)3)17-20-16-9-7-6-8-14(16)18(22)21(17)10-11-23-4/h6-9,13,15,19H,5,10-12H2,1-4H3/t15-/m1/s1.
What are the key properties of 3-(2-methoxyethyl)-2-[(1R)-1-(2-methylpropylamino)propyl]quinazolin-4-one?
3-(2-methoxyethyl)-2-[(1R)-1-(2-methylpropylamino)propyl]quinazolin-4-one has a molecular weight of 317.43 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-2-[(1R)-1-(2-methylpropylamino)propyl]quinazolin-4-one is sourced from PubChem (CID 7365393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).