ethane;2-ethyl-3-methylquinazolin-4-one

C13H18N2O — CID 143999559

IUPACethane;2-ethyl-3-methylquinazolin-4-one
SMILESCC.CCc1nc2ccccc2c(=O)n1C
InChIInChI=1S/C11H12N2O.C2H6/c1-3-10-12-9-7-5-4-6-8(9)11(14)13(10)2;1-2/h4-7H,3H2,1-2H3;1-2H3
InChIKeyAVSKWRDHGQTXNP-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.52
Rot. Bonds1

About ethane;2-ethyl-3-methylquinazolin-4-one

ethane;2-ethyl-3-methylquinazolin-4-one (PubChem CID 143999559) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is ethane;2-ethyl-3-methylquinazolin-4-one.

Molecular Properties

Compound Nameethane;2-ethyl-3-methylquinazolin-4-one
PubChem CID143999559
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Nameethane;2-ethyl-3-methylquinazolin-4-one
SMILESCC.CCc1nc2ccccc2c(=O)n1C
InChIInChI=1S/C11H12N2O.C2H6/c1-3-10-12-9-7-5-4-6-8(9)11(14)13(10)2;1-2/h4-7H,3H2,1-2H3;1-2H3
InChIKeyAVSKWRDHGQTXNP-UHFFFAOYSA-N
XLogP2.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(bromomethyl)-3-methylquinazolin-4-one
CID 15707759
ethane;2-(hydroxymethyl)-3-methylquinazolin-4-one
CID 91302678
2-(aminomethyl)-3-methylquinazolin-4-one;hydrochloride
CID 75537334
2-ethyl-3-phenylquinazolin-4-one
CID 719985
3-(dimethylamino)-2-ethylquinazolin-4-one
CID 10680290
2-ethyl-3-pentylquinazolin-4-one
CID 529110
ethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one
CID 90844218
3-(3-chloropropyl)-2-ethylquinazolin-4-one
CID 59723865
2-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]acetic acid
CID 61394536
3-methyl-2-(2-piperidin-1-ylethyl)quinazolin-4-one
CID 102371390
3-methyl-2-[[4-[4-[(3-methyl-4-oxoquinazolin-2-yl)methylamino]phenyl]anilino]methyl]quinazolin-4-one
CID 139248827
2-ethyl-3-prop-2-enylquinazolin-4-one
CID 154543894

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-3-methylquinazolin-4-one?
The IUPAC name of ethane;2-ethyl-3-methylquinazolin-4-one (CID 143999559) is ethane;2-ethyl-3-methylquinazolin-4-one.
What is the SMILES notation for ethane;2-ethyl-3-methylquinazolin-4-one?
The canonical SMILES for ethane;2-ethyl-3-methylquinazolin-4-one is CC.CCc1nc2ccccc2c(=O)n1C.
What is the InChIKey of ethane;2-ethyl-3-methylquinazolin-4-one?
The InChIKey is AVSKWRDHGQTXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.C2H6/c1-3-10-12-9-7-5-4-6-8(9)11(14)13(10)2;1-2/h4-7H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;2-ethyl-3-methylquinazolin-4-one?
ethane;2-ethyl-3-methylquinazolin-4-one has a molecular weight of 218.30 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-3-methylquinazolin-4-one is sourced from PubChem (CID 143999559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).