8-pent-1-enyl-1H-quinazoline-2,4-dione

C13H14N2O2 — CID 54140052

IUPAC8-pent-1-enyl-1H-quinazoline-2,4-dione
SMILESCCCC=Cc1cccc2c(=O)[nH]c(=O)[nH]c12
InChIInChI=1S/C13H14N2O2/c1-2-3-4-6-9-7-5-8-10-11(9)14-13(17)15-12(10)16/h4-8H,2-3H2,1H3,(H2,14,15,16,17)
InChIKeyOALPOBDCIWCWNU-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.03
Rot. Bonds3

About 8-pent-1-enyl-1H-quinazoline-2,4-dione

8-pent-1-enyl-1H-quinazoline-2,4-dione (PubChem CID 54140052) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 8-pent-1-enyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name8-pent-1-enyl-1H-quinazoline-2,4-dione
PubChem CID54140052
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name8-pent-1-enyl-1H-quinazoline-2,4-dione
SMILESCCCC=Cc1cccc2c(=O)[nH]c(=O)[nH]c12
InChIInChI=1S/C13H14N2O2/c1-2-3-4-6-9-7-5-8-10-11(9)14-13(17)15-12(10)16/h4-8H,2-3H2,1H3,(H2,14,15,16,17)
InChIKeyOALPOBDCIWCWNU-UHFFFAOYSA-N
XLogP2.03
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Quinazolinedione
CID 64048
3-(2-chloroethyl)(1H,3H)quinazoline-2,4-dione
CID 78766
3-Hydroxy-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 220188
2-Mercapto-3-phenylquinazolin-4(3H)-one
CID 680914
3-Propyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 4344644
2-Mercapto-4(3H)-quinazolinone
CID 683940
Glycosmicine
CID 11788
2,3-Dihydro-2-(4-methylphenyl)-4(1H)-quinazolinone
CID 2818760
2,3-Dihydro-2-methyl-4(1H)-quinazolinone
CID 14807234
2,3-Dihydro-2-(3-methylphenyl)-4(1H)-quinazolinone
CID 292559
3-Allyl-2-mercapto-3H-quinazolin-4-one
CID 657947
3-Amino-1H-quinazoline-2,4-dione
CID 968929

Frequently Asked Questions

What is the IUPAC name of 8-pent-1-enyl-1H-quinazoline-2,4-dione?
The IUPAC name of 8-pent-1-enyl-1H-quinazoline-2,4-dione (CID 54140052) is 8-pent-1-enyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 8-pent-1-enyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 8-pent-1-enyl-1H-quinazoline-2,4-dione is CCCC=Cc1cccc2c(=O)[nH]c(=O)[nH]c12.
What is the InChIKey of 8-pent-1-enyl-1H-quinazoline-2,4-dione?
The InChIKey is OALPOBDCIWCWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-2-3-4-6-9-7-5-8-10-11(9)14-13(17)15-12(10)16/h4-8H,2-3H2,1H3,(H2,14,15,16,17).
What are the key properties of 8-pent-1-enyl-1H-quinazoline-2,4-dione?
8-pent-1-enyl-1H-quinazoline-2,4-dione has a molecular weight of 230.27 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pent-1-enyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 54140052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).