6-chloro-3-pyrrolidin-3-yl-1H-quinazoline-2,4-dione

C12H12ClN3O2 — CID 117261221

IUPAC6-chloro-3-pyrrolidin-3-yl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccc(Cl)cc2c(=O)n1C1CCNC1
InChIInChI=1S/C12H12ClN3O2/c13-7-1-2-10-9(5-7)11(17)16(12(18)15-10)8-3-4-14-6-8/h1-2,5,8,14H,3-4,6H2,(H,15,18)
InChIKeyBBSJLQAPTURRLT-UHFFFAOYSA-N
MW265.70 g/mol
LogP0.88
Rot. Bonds1

About 6-chloro-3-pyrrolidin-3-yl-1H-quinazoline-2,4-dione

6-chloro-3-pyrrolidin-3-yl-1H-quinazoline-2,4-dione (PubChem CID 117261221) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 6-chloro-3-pyrrolidin-3-yl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-pyrrolidin-3-yl-1H-quinazoline-2,4-dione
PubChem CID117261221
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name6-chloro-3-pyrrolidin-3-yl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccc(Cl)cc2c(=O)n1C1CCNC1
InChIInChI=1S/C12H12ClN3O2/c13-7-1-2-10-9(5-7)11(17)16(12(18)15-10)8-3-4-14-6-8/h1-2,5,8,14H,3-4,6H2,(H,15,18)
InChIKeyBBSJLQAPTURRLT-UHFFFAOYSA-N
XLogP0.88
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-cyclobutyl-1H-quinazoline-2,4-dione
CID 117261427
6-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261256
3-(azetidin-3-yl)-6-methyl-1H-quinazoline-2,4-dione
CID 117262472
6-chloro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 70537571
7-hydroxy-3-piperidin-3-yl-1H-quinazoline-2,4-dione
CID 117262827
6-chloro-1-[(3R)-pyrrolidin-3-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 59594592
7-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261525
4-bromo-3-pyrrolidin-3-yl-1H-benzimidazol-2-one
CID 84642973
7-chloro-3-(thiolan-3-yl)-1H-quinazoline-2,4-dione
CID 117261485
3-cyclopropyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261419
3-cyclohexyl-6-hydroxy-1H-quinazoline-2,4-dione
CID 117261439
8-chloro-3-piperidin-4-yl-1H-quinazoline-2,4-dione
CID 117261812

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-pyrrolidin-3-yl-1H-quinazoline-2,4-dione?
The IUPAC name of 6-chloro-3-pyrrolidin-3-yl-1H-quinazoline-2,4-dione (CID 117261221) is 6-chloro-3-pyrrolidin-3-yl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-chloro-3-pyrrolidin-3-yl-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-chloro-3-pyrrolidin-3-yl-1H-quinazoline-2,4-dione is O=c1[nH]c2ccc(Cl)cc2c(=O)n1C1CCNC1.
What is the InChIKey of 6-chloro-3-pyrrolidin-3-yl-1H-quinazoline-2,4-dione?
The InChIKey is BBSJLQAPTURRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c13-7-1-2-10-9(5-7)11(17)16(12(18)15-10)8-3-4-14-6-8/h1-2,5,8,14H,3-4,6H2,(H,15,18).
What are the key properties of 6-chloro-3-pyrrolidin-3-yl-1H-quinazoline-2,4-dione?
6-chloro-3-pyrrolidin-3-yl-1H-quinazoline-2,4-dione has a molecular weight of 265.70 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-pyrrolidin-3-yl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).