6-methyl-1-propan-2-yl-5,6,7,8-tetrahydroquinazolin-2-one

C12H18N2O — CID 162161033

IUPAC6-methyl-1-propan-2-yl-5,6,7,8-tetrahydroquinazolin-2-one
SMILESCC1CCc2c(cnc(=O)n2C(C)C)C1
InChIInChI=1S/C12H18N2O/c1-8(2)14-11-5-4-9(3)6-10(11)7-13-12(14)15/h7-9H,4-6H2,1-3H3
InChIKeyZMMGDQQBYJCGGW-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.95
Rot. Bonds1

About 6-methyl-1-propan-2-yl-5,6,7,8-tetrahydroquinazolin-2-one

6-methyl-1-propan-2-yl-5,6,7,8-tetrahydroquinazolin-2-one (PubChem CID 162161033) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 6-methyl-1-propan-2-yl-5,6,7,8-tetrahydroquinazolin-2-one.

Molecular Properties

Compound Name6-methyl-1-propan-2-yl-5,6,7,8-tetrahydroquinazolin-2-one
PubChem CID162161033
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name6-methyl-1-propan-2-yl-5,6,7,8-tetrahydroquinazolin-2-one
SMILESCC1CCc2c(cnc(=O)n2C(C)C)C1
InChIInChI=1S/C12H18N2O/c1-8(2)14-11-5-4-9(3)6-10(11)7-13-12(14)15/h7-9H,4-6H2,1-3H3
InChIKeyZMMGDQQBYJCGGW-UHFFFAOYSA-N
XLogP1.95
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-propan-2-yl-5,6,7,8-tetrahydroquinazolin-2-one?
The IUPAC name of 6-methyl-1-propan-2-yl-5,6,7,8-tetrahydroquinazolin-2-one (CID 162161033) is 6-methyl-1-propan-2-yl-5,6,7,8-tetrahydroquinazolin-2-one.
What is the SMILES notation for 6-methyl-1-propan-2-yl-5,6,7,8-tetrahydroquinazolin-2-one?
The canonical SMILES for 6-methyl-1-propan-2-yl-5,6,7,8-tetrahydroquinazolin-2-one is CC1CCc2c(cnc(=O)n2C(C)C)C1.
What is the InChIKey of 6-methyl-1-propan-2-yl-5,6,7,8-tetrahydroquinazolin-2-one?
The InChIKey is ZMMGDQQBYJCGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8(2)14-11-5-4-9(3)6-10(11)7-13-12(14)15/h7-9H,4-6H2,1-3H3.
What are the key properties of 6-methyl-1-propan-2-yl-5,6,7,8-tetrahydroquinazolin-2-one?
6-methyl-1-propan-2-yl-5,6,7,8-tetrahydroquinazolin-2-one has a molecular weight of 206.29 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-propan-2-yl-5,6,7,8-tetrahydroquinazolin-2-one is sourced from PubChem (CID 162161033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).