5-chloro-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione

C13H14ClN3O2 — CID 117262113

IUPAC5-chloro-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
SMILESCn1c(=O)n(C2CCNC2)c(=O)c2c(Cl)cccc21
InChIInChI=1S/C13H14ClN3O2/c1-16-10-4-2-3-9(14)11(10)12(18)17(13(16)19)8-5-6-15-7-8/h2-4,8,15H,5-7H2,1H3
InChIKeyKFCMVNYYZBMGTA-UHFFFAOYSA-N
MW279.73 g/mol
LogP0.89
Rot. Bonds1

About 5-chloro-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione

5-chloro-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione (PubChem CID 117262113) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 5-chloro-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione.

Molecular Properties

Compound Name5-chloro-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
PubChem CID117262113
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name5-chloro-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
SMILESCn1c(=O)n(C2CCNC2)c(=O)c2c(Cl)cccc21
InChIInChI=1S/C13H14ClN3O2/c1-16-10-4-2-3-9(14)11(10)12(18)17(13(16)19)8-5-6-15-7-8/h2-4,8,15H,5-7H2,1H3
InChIKeyKFCMVNYYZBMGTA-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 ≤ 500279.73
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-[(3S)-pyrrolidin-3-yl]benzimidazol-2-one
CID 162422973
3-(azepan-3-yl)-5-methoxy-1-methylquinazoline-2,4-dione
CID 117262138
5-chloro-2-ethyl-3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one
CID 144977778
1-methyl-3-(1-pyrrolidin-3-ylpiperidin-4-yl)benzimidazol-2-one
CID 141196674
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-methoxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
CID 117262819
6-chloro-1,4-dimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one
CID 84640105
1,4,5-trimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one
CID 84632027
8-methoxy-1-methyl-3-piperidin-3-ylquinazoline-2,4-dione
CID 117263164
3-methyl-2-oxo-1-pyrrolidin-3-ylbenzimidazole-5-carboxylic acid
CID 84638551
1,8-dimethyl-3-piperidin-4-ylquinazoline-2,4-dione
CID 117263130

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione?
The IUPAC name of 5-chloro-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione (CID 117262113) is 5-chloro-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione.
What is the SMILES notation for 5-chloro-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione?
The canonical SMILES for 5-chloro-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione is Cn1c(=O)n(C2CCNC2)c(=O)c2c(Cl)cccc21.
What is the InChIKey of 5-chloro-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione?
The InChIKey is KFCMVNYYZBMGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-16-10-4-2-3-9(14)11(10)12(18)17(13(16)19)8-5-6-15-7-8/h2-4,8,15H,5-7H2,1H3.
What are the key properties of 5-chloro-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione?
5-chloro-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione has a molecular weight of 279.73 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 5-chloro-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione is sourced from PubChem (CID 117262113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).