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

C18H23N3O4 — CID 128983150

IUPAC3-[3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one
SMILESCOC[C@@H]1C[C@@H](OC)CN1C(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C18H23N3O4/c1-24-11-13-9-14(25-2)10-21(13)17(22)7-8-20-12-19-16-6-4-3-5-15(16)18(20)23/h3-6,12-14H,7-11H2,1-2H3/t13-,14+/m0/s1
InChIKeyISPBHEMPLLVBMX-UONOGXRCSA-N
MW345.40 g/mol
LogP1.05
Rot. Bonds6

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

3-[3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one (PubChem CID 128983150) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-[3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one
PubChem CID128983150
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name3-[3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one
SMILESCOC[C@@H]1C[C@@H](OC)CN1C(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C18H23N3O4/c1-24-11-13-9-14(25-2)10-21(13)17(22)7-8-20-12-19-16-6-4-3-5-15(16)18(20)23/h3-6,12-14H,7-11H2,1-2H3/t13-,14+/m0/s1
InChIKeyISPBHEMPLLVBMX-UONOGXRCSA-N
XLogP1.05
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one with MolForge

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Related Compounds

3-[3-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 128984837
methyl (2S,4R)-4-methoxy-1-[3-(4-oxoquinazolin-3-yl)propanoyl]pyrrolidine-2-carboxylate
CID 99984230
3-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one
CID 128982647
(2S,4S)-4-methoxy-1-[2-(4-oxoquinazolin-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 128982167
3-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 95577677
methyl 3-oxo-5-(4-oxoquinazolin-3-yl)pentanoate
CID 46949976
[(1R,2R)-2-methoxycyclopentyl] 3-(4-oxoquinazolin-3-yl)propanoate
CID 96523727
3-[3-[(2S)-2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 124698567
3-[3-oxo-3-[(3R)-3-propylmorpholin-4-yl]propyl]quinazolin-4-one
CID 95209616
3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
3-[3-oxo-3-(2-phenylpyrrolidin-1-yl)propyl]quinazolin-4-one
CID 51319060
3-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 42893868

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one?
The IUPAC name of 3-[3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one (CID 128983150) is 3-[3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one.
What is the SMILES notation for 3-[3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one?
The canonical SMILES for 3-[3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one is COC[C@@H]1C[C@@H](OC)CN1C(=O)CCn1cnc2ccccc2c1=O.
What is the InChIKey of 3-[3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one?
The InChIKey is ISPBHEMPLLVBMX-UONOGXRCSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-24-11-13-9-14(25-2)10-21(13)17(22)7-8-20-12-19-16-6-4-3-5-15(16)18(20)23/h3-6,12-14H,7-11H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of 3-[3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one?
3-[3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one has a molecular weight of 345.40 g/mol, XLogP of 1.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one is sourced from PubChem (CID 128983150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).