7-methoxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione

C14H17N3O3 — CID 117262819

IUPAC7-methoxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
SMILESCOc1ccc2c(=O)n(C3CCNC3)c(=O)n(C)c2c1
InChIInChI=1S/C14H17N3O3/c1-16-12-7-10(20-2)3-4-11(12)13(18)17(14(16)19)9-5-6-15-8-9/h3-4,7,9,15H,5-6,8H2,1-2H3
InChIKeyPJZBEDWMUUTSKS-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.24
Rot. Bonds2

About 7-methoxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione

7-methoxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione (PubChem CID 117262819) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 7-methoxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione.

Molecular Properties

Compound Name7-methoxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
PubChem CID117262819
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name7-methoxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
SMILESCOc1ccc2c(=O)n(C3CCNC3)c(=O)n(C)c2c1
InChIInChI=1S/C14H17N3O3/c1-16-12-7-10(20-2)3-4-11(12)13(18)17(14(16)19)9-5-6-15-8-9/h3-4,7,9,15H,5-6,8H2,1-2H3
InChIKeyPJZBEDWMUUTSKS-UHFFFAOYSA-N
XLogP0.24
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-methoxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione
CID 22923350
7-hydroxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
CID 117262818
6-hydroxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
CID 117262488
7-hydroxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione;hydrobromide
CID 22923480
1-methyl-3-[(3S)-pyrrolidin-3-yl]benzimidazol-2-one
CID 162422973
5-chloro-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
CID 117262113
6-methoxy-1-methyl-3-(pyrrolidin-3-ylmethyl)quinazoline-2,4-dione
CID 117262554
5-methoxy-2-pyrrolidin-3-ylisoindole-1,3-dione
CID 117031880
1,4,5-trimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one
CID 84632027
3-methyl-2-oxo-1-pyrrolidin-3-ylbenzimidazole-5-carboxylic acid
CID 84638551
6-ethyl-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione
CID 22923521
3-(azepan-3-yl)-5-methoxy-1-methylquinazoline-2,4-dione
CID 117262138

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione?
The IUPAC name of 7-methoxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione (CID 117262819) is 7-methoxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione.
What is the SMILES notation for 7-methoxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione?
The canonical SMILES for 7-methoxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione is COc1ccc2c(=O)n(C3CCNC3)c(=O)n(C)c2c1.
What is the InChIKey of 7-methoxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione?
The InChIKey is PJZBEDWMUUTSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-16-12-7-10(20-2)3-4-11(12)13(18)17(14(16)19)9-5-6-15-8-9/h3-4,7,9,15H,5-6,8H2,1-2H3.
What are the key properties of 7-methoxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione?
7-methoxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione has a molecular weight of 275.31 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione is sourced from PubChem (CID 117262819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).