ethane;7-methyl-3H-quinazolin-4-one

C11H14N2O — CID 143636831

IUPACethane;7-methyl-3H-quinazolin-4-one
SMILESCC.Cc1ccc2c(=O)[nH]cnc2c1
InChIInChI=1S/C9H8N2O.C2H6/c1-6-2-3-7-8(4-6)10-5-11-9(7)12;1-2/h2-5H,1H3,(H,10,11,12);1-2H3
InChIKeyRNTOYFPBIKQWJQ-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.26
Rot. Bonds

About ethane;7-methyl-3H-quinazolin-4-one

ethane;7-methyl-3H-quinazolin-4-one (PubChem CID 143636831) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is ethane;7-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Nameethane;7-methyl-3H-quinazolin-4-one
PubChem CID143636831
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Nameethane;7-methyl-3H-quinazolin-4-one
SMILESCC.Cc1ccc2c(=O)[nH]cnc2c1
InChIInChI=1S/C9H8N2O.C2H6/c1-6-2-3-7-8(4-6)10-5-11-9(7)12;1-2/h2-5H,1H3,(H,10,11,12);1-2H3
InChIKeyRNTOYFPBIKQWJQ-UHFFFAOYSA-N
XLogP2.26
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-(2-bromoacetyl)-3H-quinazolin-4-one
CID 135714637
ethane;iodomethane;3H-quinazolin-4-one
CID 136650915
7-(5-methyl-1,3,4-oxadiazol-2-yl)-3H-quinazolin-4-one
CID 135703880
7-(1-nitrosoethyl)-3H-quinazolin-4-one
CID 137028703
ethane;7-phenylmethoxy-3H-quinazolin-4-one
CID 136656815
methane;3H-quinazolin-4-one
CID 143348425
7-(2,2-difluoroethyl)-3H-quinazolin-4-one
CID 155734124
7-azido-3H-quinazolin-4-one
CID 135788475
7-pyridin-2-yl-3H-quinazolin-4-one
CID 135682059
7-(5-methoxypyrimidin-2-yl)-3H-quinazolin-4-one
CID 175827513
ethane;6-ethyl-3H-quinazolin-4-one
CID 143716071
7-methoxy-6-methyl-3H-quinazolin-4-one
CID 135980182

Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-3H-quinazolin-4-one?
The IUPAC name of ethane;7-methyl-3H-quinazolin-4-one (CID 143636831) is ethane;7-methyl-3H-quinazolin-4-one.
What is the SMILES notation for ethane;7-methyl-3H-quinazolin-4-one?
The canonical SMILES for ethane;7-methyl-3H-quinazolin-4-one is CC.Cc1ccc2c(=O)[nH]cnc2c1.
What is the InChIKey of ethane;7-methyl-3H-quinazolin-4-one?
The InChIKey is RNTOYFPBIKQWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O.C2H6/c1-6-2-3-7-8(4-6)10-5-11-9(7)12;1-2/h2-5H,1H3,(H,10,11,12);1-2H3.
What are the key properties of ethane;7-methyl-3H-quinazolin-4-one?
ethane;7-methyl-3H-quinazolin-4-one has a molecular weight of 190.25 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 143636831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).