3-[2-(2,4-dimethylphenyl)ethyl]-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]quinazolin-4-one

C24H29N3O3 — CID 177159681

IUPAC3-[2-(2,4-dimethylphenyl)ethyl]-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]quinazolin-4-one
SMILESCOC[C@H]1CN(c2ccc3c(=O)n(CCc4ccc(C)cc4C)cnc3c2)CCO1
InChIInChI=1S/C24H29N3O3/c1-17-4-5-19(18(2)12-17)8-9-27-16-25-23-13-20(6-7-22(23)24(27)28)26-10-11-30-21(14-26)15-29-3/h4-7,12-13,16,21H,8-11,14-15H2,1-3H3/t21-/m1/s1
InChIKeyDOGUFTYZAKKHAC-OAQYLSRUSA-N
MW407.51 g/mol
LogP3.11
Rot. Bonds6

About 3-[2-(2,4-dimethylphenyl)ethyl]-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]quinazolin-4-one

3-[2-(2,4-dimethylphenyl)ethyl]-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]quinazolin-4-one (PubChem CID 177159681) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 3-[2-(2,4-dimethylphenyl)ethyl]-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-(2,4-dimethylphenyl)ethyl]-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]quinazolin-4-one
PubChem CID177159681
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name3-[2-(2,4-dimethylphenyl)ethyl]-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]quinazolin-4-one
SMILESCOC[C@H]1CN(c2ccc3c(=O)n(CCc4ccc(C)cc4C)cnc3c2)CCO1
InChIInChI=1S/C24H29N3O3/c1-17-4-5-19(18(2)12-17)8-9-27-16-25-23-13-20(6-7-22(23)24(27)28)26-10-11-30-21(14-26)15-29-3/h4-7,12-13,16,21H,8-11,14-15H2,1-3H3/t21-/m1/s1
InChIKeyDOGUFTYZAKKHAC-OAQYLSRUSA-N
XLogP3.11
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[6-(2-hydroxypropan-2-yl)-2-methyl-3-pyridinyl]ethyl]-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-methylquinazolin-4-one
CID 177159699
4-[2-[7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-methyl-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide
CID 177159845
3-(2-methoxyethyl)-7-[4-(oxan-2-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126899210
7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-3-[2-(2-methoxypyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-[(2R)-oxetan-2-yl]quinazolin-4-one
CID 177159880
2-cyclobutyl-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-3-[2-(1-methyl-4-oxoimidazo[4,5-c]pyridin-5-yl)ethyl]quinazolin-4-one
CID 177159927
3-(2-methoxyethyl)-7-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]quinazolin-4-one
CID 126899096
3-(2-methoxyethyl)-7-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]quinazolin-4-one
CID 126899053
2-cyclobutyl-7-[2-(methoxymethyl)morpholin-4-yl]-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]quinazolin-4-one
CID 177159942
3-(2-hydroxyethyl)-7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-one
CID 126898641
3-(2-methoxyethyl)-7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126899083
3-(2-methoxyethyl)-7-[4-(2-oxoazepan-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126899193
3-(2-methoxyethyl)-7-[4-[(2-methyl-3-oxopyridazin-4-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126899130

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dimethylphenyl)ethyl]-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]quinazolin-4-one?
The IUPAC name of 3-[2-(2,4-dimethylphenyl)ethyl]-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]quinazolin-4-one (CID 177159681) is 3-[2-(2,4-dimethylphenyl)ethyl]-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]quinazolin-4-one.
What is the SMILES notation for 3-[2-(2,4-dimethylphenyl)ethyl]-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]quinazolin-4-one?
The canonical SMILES for 3-[2-(2,4-dimethylphenyl)ethyl]-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]quinazolin-4-one is COC[C@H]1CN(c2ccc3c(=O)n(CCc4ccc(C)cc4C)cnc3c2)CCO1.
What is the InChIKey of 3-[2-(2,4-dimethylphenyl)ethyl]-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]quinazolin-4-one?
The InChIKey is DOGUFTYZAKKHAC-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-17-4-5-19(18(2)12-17)8-9-27-16-25-23-13-20(6-7-22(23)24(27)28)26-10-11-30-21(14-26)15-29-3/h4-7,12-13,16,21H,8-11,14-15H2,1-3H3/t21-/m1/s1.
What are the key properties of 3-[2-(2,4-dimethylphenyl)ethyl]-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]quinazolin-4-one?
3-[2-(2,4-dimethylphenyl)ethyl]-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]quinazolin-4-one has a molecular weight of 407.51 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dimethylphenyl)ethyl]-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]quinazolin-4-one is sourced from PubChem (CID 177159681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).