3-[2-[6-(2-hydroxypropan-2-yl)-2-methyl-3-pyridinyl]ethyl]-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-methylquinazolin-4-one

C26H34N4O4 — CID 177159699

IUPAC3-[2-[6-(2-hydroxypropan-2-yl)-2-methyl-3-pyridinyl]ethyl]-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-methylquinazolin-4-one
SMILESCOC[C@H]1CN(c2ccc3c(=O)n(CCc4ccc(C(C)(C)O)nc4C)c(C)nc3c2)CCO1
InChIInChI=1S/C26H34N4O4/c1-17-19(6-9-24(27-17)26(3,4)32)10-11-30-18(2)28-23-14-20(7-8-22(23)25(30)31)29-12-13-34-21(15-29)16-33-5/h6-9,14,21,32H,10-13,15-16H2,1-5H3/t21-/m1/s1
InChIKeyIBIOGEZGBIGTFR-OAQYLSRUSA-N
MW466.58 g/mol
LogP2.73
Rot. Bonds7

About 3-[2-[6-(2-hydroxypropan-2-yl)-2-methyl-3-pyridinyl]ethyl]-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-methylquinazolin-4-one

3-[2-[6-(2-hydroxypropan-2-yl)-2-methyl-3-pyridinyl]ethyl]-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-methylquinazolin-4-one (PubChem CID 177159699) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is 3-[2-[6-(2-hydroxypropan-2-yl)-2-methyl-3-pyridinyl]ethyl]-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[2-[6-(2-hydroxypropan-2-yl)-2-methyl-3-pyridinyl]ethyl]-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-methylquinazolin-4-one
PubChem CID177159699
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC Name3-[2-[6-(2-hydroxypropan-2-yl)-2-methyl-3-pyridinyl]ethyl]-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-methylquinazolin-4-one
SMILESCOC[C@H]1CN(c2ccc3c(=O)n(CCc4ccc(C(C)(C)O)nc4C)c(C)nc3c2)CCO1
InChIInChI=1S/C26H34N4O4/c1-17-19(6-9-24(27-17)26(3,4)32)10-11-30-18(2)28-23-14-20(7-8-22(23)25(30)31)29-12-13-34-21(15-29)16-33-5/h6-9,14,21,32H,10-13,15-16H2,1-5H3/t21-/m1/s1
InChIKeyIBIOGEZGBIGTFR-OAQYLSRUSA-N
XLogP2.73
TPSA89.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-[7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-methyl-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide
CID 177159845
3-[2-(2,4-dimethylphenyl)ethyl]-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]quinazolin-4-one
CID 177159681
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-[2-(methoxymethyl)morpholin-4-yl]-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]quinazolin-4-one
CID 177159942
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
2-(methoxymethyl)-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine
CID 122156203
3-[2-(4-aminosulfanyl-2-methylphenyl)ethyl]-7-morpholin-4-yl-2-propan-2-ylquinazolin-4-one;methoxymethane
CID 177159759
7-[(2R)-2-[(3-fluoroazetidin-1-yl)methyl]morpholin-4-yl]-3-[2-(2-methyl-1-oxo-3H-isoindol-5-yl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]quinazolin-4-one
CID 177158771
tert-butyl 6-[2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxylate
CID 122131711
7-[(2R)-2-[(3-fluoroazetidin-1-yl)methyl]morpholin-4-yl]-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[2-(1,3,3-trimethyl-2-oxopyrrolo[3,2-b]pyridin-6-yl)ethyl]quinazolin-4-one
CID 177158895
2-(methoxymethyl)-4-[7-(trifluoromethyl)quinolin-4-yl]morpholine
CID 133402379
8-(4-chloro-2-fluorophenyl)-6-[2-(methoxymethyl)morpholin-4-yl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one
CID 170711713

Frequently Asked Questions

What is the IUPAC name of 3-[2-[6-(2-hydroxypropan-2-yl)-2-methyl-3-pyridinyl]ethyl]-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-methylquinazolin-4-one?
The IUPAC name of 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) is 3-[2-[6-(2-hydroxypropan-2-yl)-2-methyl-3-pyridinyl]ethyl]-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[2-[6-(2-hydroxypropan-2-yl)-2-methyl-3-pyridinyl]ethyl]-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[2-[6-(2-hydroxypropan-2-yl)-2-methyl-3-pyridinyl]ethyl]-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-methylquinazolin-4-one is COC[C@H]1CN(c2ccc3c(=O)n(CCc4ccc(C(C)(C)O)nc4C)c(C)nc3c2)CCO1.
What is the InChIKey of 3-[2-[6-(2-hydroxypropan-2-yl)-2-methyl-3-pyridinyl]ethyl]-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-methylquinazolin-4-one?
The InChIKey is IBIOGEZGBIGTFR-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-17-19(6-9-24(27-17)26(3,4)32)10-11-30-18(2)28-23-14-20(7-8-22(23)25(30)31)29-12-13-34-21(15-29)16-33-5/h6-9,14,21,32H,10-13,15-16H2,1-5H3/t21-/m1/s1.
What are the key properties of 3-[2-[6-(2-hydroxypropan-2-yl)-2-methyl-3-pyridinyl]ethyl]-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-methylquinazolin-4-one?
3-[2-[6-(2-hydroxypropan-2-yl)-2-methyl-3-pyridinyl]ethyl]-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-methylquinazolin-4-one has a molecular weight of 466.58 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[6-(2-hydroxypropan-2-yl)-2-methyl-3-pyridinyl]ethyl]-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-methylquinazolin-4-one is sourced from PubChem (CID 177159699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).