1,6-dimethyl-3-pyrrolidin-2-ylquinazoline-2,4-dione

C14H17N3O2 — CID 117262568

IUPAC1,6-dimethyl-3-pyrrolidin-2-ylquinazoline-2,4-dione
SMILESCc1ccc2c(c1)c(=O)n(C1CCCN1)c(=O)n2C
InChIInChI=1S/C14H17N3O2/c1-9-5-6-11-10(8-9)13(18)17(14(19)16(11)2)12-4-3-7-15-12/h5-6,8,12,15H,3-4,7H2,1-2H3
InChIKeyCIFHKVUFZNNXFO-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.89
Rot. Bonds1

About 1,6-dimethyl-3-pyrrolidin-2-ylquinazoline-2,4-dione

1,6-dimethyl-3-pyrrolidin-2-ylquinazoline-2,4-dione (PubChem CID 117262568) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1,6-dimethyl-3-pyrrolidin-2-ylquinazoline-2,4-dione.

Molecular Properties

Compound Name1,6-dimethyl-3-pyrrolidin-2-ylquinazoline-2,4-dione
PubChem CID117262568
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1,6-dimethyl-3-pyrrolidin-2-ylquinazoline-2,4-dione
SMILESCc1ccc2c(c1)c(=O)n(C1CCCN1)c(=O)n2C
InChIInChI=1S/C14H17N3O2/c1-9-5-6-11-10(8-9)13(18)17(14(19)16(11)2)12-4-3-7-15-12/h5-6,8,12,15H,3-4,7H2,1-2H3
InChIKeyCIFHKVUFZNNXFO-UHFFFAOYSA-N
XLogP0.89
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione
CID 117262573
1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione
CID 117262207
7-fluoro-1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione
CID 117262903
1-methyl-3-pyrrolidin-2-yl-7-(trifluoromethyl)quinazoline-2,4-dione
CID 117262897
1,3,6-trimethylquinazoline-2,4-dione
CID 58376355
6-methoxy-1-methyl-3-(pyrrolidin-2-ylmethyl)quinazoline-2,4-dione
CID 117262520
6-hydroxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
CID 117262488
6-ethyl-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione
CID 22923521
1-methyl-3-piperidin-4-yl-6-propylquinazoline-2,4-dione
CID 22923441
3-[1-(1,3-diethyl-2-oxoimidazo[4,5-g]isoquinolin-5-yl)piperidin-4-yl]-1,6-dimethylquinazoline-2,4-dione
CID 139800928
1,6-dimethyl-3-(methylaminomethyl)quinazoline-2,4-dione
CID 117262591
1,6-dimethyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione
CID 117262593

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3-pyrrolidin-2-ylquinazoline-2,4-dione?
The IUPAC name of 1,6-dimethyl-3-pyrrolidin-2-ylquinazoline-2,4-dione (CID 117262568) is 1,6-dimethyl-3-pyrrolidin-2-ylquinazoline-2,4-dione.
What is the SMILES notation for 1,6-dimethyl-3-pyrrolidin-2-ylquinazoline-2,4-dione?
The canonical SMILES for 1,6-dimethyl-3-pyrrolidin-2-ylquinazoline-2,4-dione is Cc1ccc2c(c1)c(=O)n(C1CCCN1)c(=O)n2C.
What is the InChIKey of 1,6-dimethyl-3-pyrrolidin-2-ylquinazoline-2,4-dione?
The InChIKey is CIFHKVUFZNNXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-5-6-11-10(8-9)13(18)17(14(19)16(11)2)12-4-3-7-15-12/h5-6,8,12,15H,3-4,7H2,1-2H3.
What are the key properties of 1,6-dimethyl-3-pyrrolidin-2-ylquinazoline-2,4-dione?
1,6-dimethyl-3-pyrrolidin-2-ylquinazoline-2,4-dione has a molecular weight of 259.31 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-3-pyrrolidin-2-ylquinazoline-2,4-dione is sourced from PubChem (CID 117262568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).