1-methyl-3-propan-2-yl-4a,5,6,7-tetrahydroquinazoline-2,4-dione

C12H18N2O2 — CID 154122676

IUPAC1-methyl-3-propan-2-yl-4a,5,6,7-tetrahydroquinazoline-2,4-dione
SMILESCC(C)N1C(=O)C2CCCC=C2N(C)C1=O
InChIInChI=1S/C12H18N2O2/c1-8(2)14-11(15)9-6-4-5-7-10(9)13(3)12(14)16/h7-9H,4-6H2,1-3H3
InChIKeyCQWCKGOLYQDAFE-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.97
Rot. Bonds1

About 1-methyl-3-propan-2-yl-4a,5,6,7-tetrahydroquinazoline-2,4-dione

1-methyl-3-propan-2-yl-4a,5,6,7-tetrahydroquinazoline-2,4-dione (PubChem CID 154122676) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-4a,5,6,7-tetrahydroquinazoline-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-4a,5,6,7-tetrahydroquinazoline-2,4-dione
PubChem CID154122676
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-methyl-3-propan-2-yl-4a,5,6,7-tetrahydroquinazoline-2,4-dione
SMILESCC(C)N1C(=O)C2CCCC=C2N(C)C1=O
InChIInChI=1S/C12H18N2O2/c1-8(2)14-11(15)9-6-4-5-7-10(9)13(3)12(14)16/h7-9H,4-6H2,1-3H3
InChIKeyCQWCKGOLYQDAFE-UHFFFAOYSA-N
XLogP1.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-4a,5,6,7-tetrahydroquinazoline-2,4-dione?
The IUPAC name of 1-methyl-3-propan-2-yl-4a,5,6,7-tetrahydroquinazoline-2,4-dione (CID 154122676) is 1-methyl-3-propan-2-yl-4a,5,6,7-tetrahydroquinazoline-2,4-dione.
What is the SMILES notation for 1-methyl-3-propan-2-yl-4a,5,6,7-tetrahydroquinazoline-2,4-dione?
The canonical SMILES for 1-methyl-3-propan-2-yl-4a,5,6,7-tetrahydroquinazoline-2,4-dione is CC(C)N1C(=O)C2CCCC=C2N(C)C1=O.
What is the InChIKey of 1-methyl-3-propan-2-yl-4a,5,6,7-tetrahydroquinazoline-2,4-dione?
The InChIKey is CQWCKGOLYQDAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(2)14-11(15)9-6-4-5-7-10(9)13(3)12(14)16/h7-9H,4-6H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-yl-4a,5,6,7-tetrahydroquinazoline-2,4-dione?
1-methyl-3-propan-2-yl-4a,5,6,7-tetrahydroquinazoline-2,4-dione has a molecular weight of 222.29 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-4a,5,6,7-tetrahydroquinazoline-2,4-dione is sourced from PubChem (CID 154122676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).