ethane;7-methyl-2-propan-2-yl-3H-quinazolin-4-one

C14H20N2O — CID 165134582

IUPACethane;7-methyl-2-propan-2-yl-3H-quinazolin-4-one
SMILESCC.Cc1ccc2c(=O)[nH]c(C(C)C)nc2c1
InChIInChI=1S/C12H14N2O.C2H6/c1-7(2)11-13-10-6-8(3)4-5-9(10)12(15)14-11;1-2/h4-7H,1-3H3,(H,13,14,15);1-2H3
InChIKeyGQIWFZMMLPAIOA-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.38
Rot. Bonds1

About ethane;7-methyl-2-propan-2-yl-3H-quinazolin-4-one

ethane;7-methyl-2-propan-2-yl-3H-quinazolin-4-one (PubChem CID 165134582) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is ethane;7-methyl-2-propan-2-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Nameethane;7-methyl-2-propan-2-yl-3H-quinazolin-4-one
PubChem CID165134582
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Nameethane;7-methyl-2-propan-2-yl-3H-quinazolin-4-one
SMILESCC.Cc1ccc2c(=O)[nH]c(C(C)C)nc2c1
InChIInChI=1S/C12H14N2O.C2H6/c1-7(2)11-13-10-6-8(3)4-5-9(10)12(15)14-11;1-2/h4-7H,1-3H3,(H,13,14,15);1-2H3
InChIKeyGQIWFZMMLPAIOA-UHFFFAOYSA-N
XLogP3.38
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-2-propan-2-yl-3H-quinazolin-4-one?
The IUPAC name of ethane;7-methyl-2-propan-2-yl-3H-quinazolin-4-one (CID 165134582) is ethane;7-methyl-2-propan-2-yl-3H-quinazolin-4-one.
What is the SMILES notation for ethane;7-methyl-2-propan-2-yl-3H-quinazolin-4-one?
The canonical SMILES for ethane;7-methyl-2-propan-2-yl-3H-quinazolin-4-one is CC.Cc1ccc2c(=O)[nH]c(C(C)C)nc2c1.
What is the InChIKey of ethane;7-methyl-2-propan-2-yl-3H-quinazolin-4-one?
The InChIKey is GQIWFZMMLPAIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.C2H6/c1-7(2)11-13-10-6-8(3)4-5-9(10)12(15)14-11;1-2/h4-7H,1-3H3,(H,13,14,15);1-2H3.
What are the key properties of ethane;7-methyl-2-propan-2-yl-3H-quinazolin-4-one?
ethane;7-methyl-2-propan-2-yl-3H-quinazolin-4-one has a molecular weight of 232.33 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-2-propan-2-yl-3H-quinazolin-4-one is sourced from PubChem (CID 165134582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).