3-[3-(5-methylimidazol-1-yl)propyl]-1H-quinazoline-2,4-dione

C15H16N4O2 — CID 71713010

IUPAC3-[3-(5-methylimidazol-1-yl)propyl]-1H-quinazoline-2,4-dione
SMILESCc1cncn1CCCn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C15H16N4O2/c1-11-9-16-10-18(11)7-4-8-19-14(20)12-5-2-3-6-13(12)17-15(19)21/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,17,21)
InChIKeyFZTCBINLNJARNX-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.29
Rot. Bonds4

About 3-[3-(5-methylimidazol-1-yl)propyl]-1H-quinazoline-2,4-dione

3-[3-(5-methylimidazol-1-yl)propyl]-1H-quinazoline-2,4-dione (PubChem CID 71713010) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-[3-(5-methylimidazol-1-yl)propyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[3-(5-methylimidazol-1-yl)propyl]-1H-quinazoline-2,4-dione
PubChem CID71713010
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-[3-(5-methylimidazol-1-yl)propyl]-1H-quinazoline-2,4-dione
SMILESCc1cncn1CCCn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C15H16N4O2/c1-11-9-16-10-18(11)7-4-8-19-14(20)12-5-2-3-6-13(12)17-15(19)21/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,17,21)
InChIKeyFZTCBINLNJARNX-UHFFFAOYSA-N
XLogP1.29
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-methylimidazol-1-yl)propyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[3-(5-methylimidazol-1-yl)propyl]-1H-quinazoline-2,4-dione (CID 71713010) is 3-[3-(5-methylimidazol-1-yl)propyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[3-(5-methylimidazol-1-yl)propyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[3-(5-methylimidazol-1-yl)propyl]-1H-quinazoline-2,4-dione is Cc1cncn1CCCn1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-[3-(5-methylimidazol-1-yl)propyl]-1H-quinazoline-2,4-dione?
The InChIKey is FZTCBINLNJARNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-11-9-16-10-18(11)7-4-8-19-14(20)12-5-2-3-6-13(12)17-15(19)21/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,17,21).
What are the key properties of 3-[3-(5-methylimidazol-1-yl)propyl]-1H-quinazoline-2,4-dione?
3-[3-(5-methylimidazol-1-yl)propyl]-1H-quinazoline-2,4-dione has a molecular weight of 284.32 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-methylimidazol-1-yl)propyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 71713010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).