3-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one

C18H23N3O4 — CID 128982647

IUPAC3-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one
SMILESCOC[C@@H]1C[C@@H](OC)CN1C(=O)Cn1c(C)nc2ccccc2c1=O
InChIInChI=1S/C18H23N3O4/c1-12-19-16-7-5-4-6-15(16)18(23)20(12)10-17(22)21-9-14(25-3)8-13(21)11-24-2/h4-7,13-14H,8-11H2,1-3H3/t13-,14+/m0/s1
InChIKeyIHDOYQLHDRCFOW-UONOGXRCSA-N
MW345.40 g/mol
LogP0.97
Rot. Bonds5

About 3-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one

3-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one (PubChem CID 128982647) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one
PubChem CID128982647
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name3-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one
SMILESCOC[C@@H]1C[C@@H](OC)CN1C(=O)Cn1c(C)nc2ccccc2c1=O
InChIInChI=1S/C18H23N3O4/c1-12-19-16-7-5-4-6-15(16)18(23)20(12)10-17(22)21-9-14(25-3)8-13(21)11-24-2/h4-7,13-14H,8-11H2,1-3H3/t13-,14+/m0/s1
InChIKeyIHDOYQLHDRCFOW-UONOGXRCSA-N
XLogP0.97
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 128983150
1-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 128990331
3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one
CID 96543678
2-(2-methyl-4-oxoquinazolin-3-yl)acetate
CID 6971388
3-[3-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 128984837
2-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dihydroisoquinolin-1-one
CID 128983117
3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one
CID 51046856
3-[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one
CID 55619945
methyl 2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]acetate
CID 21004517
1-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 154740365
N-(2-methoxyphenyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 860126
3-[2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one
CID 17470334

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one?
The IUPAC name of 3-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one (CID 128982647) is 3-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one is COC[C@@H]1C[C@@H](OC)CN1C(=O)Cn1c(C)nc2ccccc2c1=O.
What is the InChIKey of 3-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one?
The InChIKey is IHDOYQLHDRCFOW-UONOGXRCSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-12-19-16-7-5-4-6-15(16)18(23)20(12)10-17(22)21-9-14(25-3)8-13(21)11-24-2/h4-7,13-14H,8-11H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of 3-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one?
3-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one has a molecular weight of 345.40 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one is sourced from PubChem (CID 128982647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).