8-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione

C9H12N2O2 — CID 602023

IUPAC8-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione
SMILESCC1CCCc2c1[nH]c(=O)[nH]c2=O
InChIInChI=1S/C9H12N2O2/c1-5-3-2-4-6-7(5)10-9(13)11-8(6)12/h5H,2-4H2,1H3,(H2,10,11,12,13)
InChIKeyFFYNFIFCDASFFP-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.50
Rot. Bonds

About 8-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione

8-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione (PubChem CID 602023) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 8-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name8-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione
PubChem CID602023
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name8-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione
SMILESCC1CCCc2c1[nH]c(=O)[nH]c2=O
InChIInChI=1S/C9H12N2O2/c1-5-3-2-4-6-7(5)10-9(13)11-8(6)12/h5H,2-4H2,1H3,(H2,10,11,12,13)
InChIKeyFFYNFIFCDASFFP-UHFFFAOYSA-N
XLogP0.50
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione?
The IUPAC name of 8-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione (CID 602023) is 8-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione.
What is the SMILES notation for 8-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione?
The canonical SMILES for 8-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione is CC1CCCc2c1[nH]c(=O)[nH]c2=O.
What is the InChIKey of 8-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione?
The InChIKey is FFYNFIFCDASFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-5-3-2-4-6-7(5)10-9(13)11-8(6)12/h5H,2-4H2,1H3,(H2,10,11,12,13).
What are the key properties of 8-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione?
8-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione has a molecular weight of 180.21 g/mol, XLogP of 0.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione is sourced from PubChem (CID 602023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).