ethane;methane;(4-oxoquinazolin-3-yl)methyl 2,2-dimethylpropanoate

C18H30N2O3 — CID 158474747

IUPACethane;methane;(4-oxoquinazolin-3-yl)methyl 2,2-dimethylpropanoate
SMILESC.C.CC.CC(C)(C)C(=O)OCn1cnc2ccccc2c1=O
InChIInChI=1S/C14H16N2O3.C2H6.2CH4/c1-14(2,3)13(18)19-9-16-8-15-11-7-5-4-6-10(11)12(16)17;1-2;;/h4-8H,9H2,1-3H3;1-2H3;2*1H4
InChIKeyHGUIKCMBCBNVQZ-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.24
Rot. Bonds2

About ethane;methane;(4-oxoquinazolin-3-yl)methyl 2,2-dimethylpropanoate

ethane;methane;(4-oxoquinazolin-3-yl)methyl 2,2-dimethylpropanoate (PubChem CID 158474747) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is ethane;methane;(4-oxoquinazolin-3-yl)methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Nameethane;methane;(4-oxoquinazolin-3-yl)methyl 2,2-dimethylpropanoate
PubChem CID158474747
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Nameethane;methane;(4-oxoquinazolin-3-yl)methyl 2,2-dimethylpropanoate
SMILESC.C.CC.CC(C)(C)C(=O)OCn1cnc2ccccc2c1=O
InChIInChI=1S/C14H16N2O3.C2H6.2CH4/c1-14(2,3)13(18)19-9-16-8-15-11-7-5-4-6-10(11)12(16)17;1-2;;/h4-8H,9H2,1-3H3;1-2H3;2*1H4
InChIKeyHGUIKCMBCBNVQZ-UHFFFAOYSA-N
XLogP4.24
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,2-dihydroxypropyl)quinazolin-4-one
CID 142014716
[1-(2,2-dimethylpropanoyloxymethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl 2,2-dimethylpropanoate
CID 15115633
(5-hydroxy-6-methoxy-4-oxoquinazolin-3-yl)methyl 2,2-dimethylpropanoate
CID 11974824
(4-oxoquinazolin-3-yl)methyl 3-(4-methoxyphenyl)prop-2-enoate
CID 735211
3-(3-methyl-2-oxobutyl)quinazolin-4-one
CID 78949362
3-(2-chloroethyl)quinazolin-4-one
CID 4518743
3-propylquinazolin-4-one
CID 529124
[5-(2-methylbut-3-yn-2-yloxy)-4-oxo-7-phenylmethoxyquinazolin-3-yl]methyl 2,2-dimethylpropanoate
CID 171582377
3-(4-aminobutyl)quinazolin-4-one
CID 28823941
3-(5-aminopentyl)quinazolin-4-one
CID 54965918
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 2482812
tert-butyl 4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidine-1-carboxylate
CID 71278911

Frequently Asked Questions

What is the IUPAC name of ethane;methane;(4-oxoquinazolin-3-yl)methyl 2,2-dimethylpropanoate?
The IUPAC name of ethane;methane;(4-oxoquinazolin-3-yl)methyl 2,2-dimethylpropanoate (CID 158474747) is ethane;methane;(4-oxoquinazolin-3-yl)methyl 2,2-dimethylpropanoate.
What is the SMILES notation for ethane;methane;(4-oxoquinazolin-3-yl)methyl 2,2-dimethylpropanoate?
The canonical SMILES for ethane;methane;(4-oxoquinazolin-3-yl)methyl 2,2-dimethylpropanoate is C.C.CC.CC(C)(C)C(=O)OCn1cnc2ccccc2c1=O.
What is the InChIKey of ethane;methane;(4-oxoquinazolin-3-yl)methyl 2,2-dimethylpropanoate?
The InChIKey is HGUIKCMBCBNVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3.C2H6.2CH4/c1-14(2,3)13(18)19-9-16-8-15-11-7-5-4-6-10(11)12(16)17;1-2;;/h4-8H,9H2,1-3H3;1-2H3;2*1H4.
What are the key properties of ethane;methane;(4-oxoquinazolin-3-yl)methyl 2,2-dimethylpropanoate?
ethane;methane;(4-oxoquinazolin-3-yl)methyl 2,2-dimethylpropanoate has a molecular weight of 322.45 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;(4-oxoquinazolin-3-yl)methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 158474747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).