[7-(3-hydroxypropoxy)-6-methoxy-4-oxoquinazolin-3-yl] 2,2-dimethylbutanoate

C18H24N2O6 — CID 69284399

IUPAC[7-(3-hydroxypropoxy)-6-methoxy-4-oxoquinazolin-3-yl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)On1cnc2cc(OCCCO)c(OC)cc2c1=O
InChIInChI=1S/C18H24N2O6/c1-5-18(2,3)17(23)26-20-11-19-13-10-15(25-8-6-7-21)14(24-4)9-12(13)16(20)22/h9-11,21H,5-8H2,1-4H3
InChIKeyNWMPULKDKNDVCB-UHFFFAOYSA-N
MW364.40 g/mol
LogP1.56
Rot. Bonds8

About [7-(3-hydroxypropoxy)-6-methoxy-4-oxoquinazolin-3-yl] 2,2-dimethylbutanoate

[7-(3-hydroxypropoxy)-6-methoxy-4-oxoquinazolin-3-yl] 2,2-dimethylbutanoate (PubChem CID 69284399) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is [7-(3-hydroxypropoxy)-6-methoxy-4-oxoquinazolin-3-yl] 2,2-dimethylbutanoate.

Molecular Properties

Compound Name[7-(3-hydroxypropoxy)-6-methoxy-4-oxoquinazolin-3-yl] 2,2-dimethylbutanoate
PubChem CID69284399
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Name[7-(3-hydroxypropoxy)-6-methoxy-4-oxoquinazolin-3-yl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)On1cnc2cc(OCCCO)c(OC)cc2c1=O
InChIInChI=1S/C18H24N2O6/c1-5-18(2,3)17(23)26-20-11-19-13-10-15(25-8-6-7-21)14(24-4)9-12(13)16(20)22/h9-11,21H,5-8H2,1-4H3
InChIKeyNWMPULKDKNDVCB-UHFFFAOYSA-N
XLogP1.56
TPSA99.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [7-(3-hydroxypropoxy)-6-methoxy-4-oxoquinazolin-3-yl] 2,2-dimethylbutanoate with MolForge

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Related Compounds

3-tert-butyl-6,7-dimethoxyquinazolin-4-one
CID 7749368
3-(4-chlorobutyl)-6,7-dimethoxyquinazolin-4-one
CID 22326633
[7-[2-[2,2-dimethylpropanoyl(methyl)amino]ethoxy]-6-methoxy-4-oxoquinazolin-3-yl]methyl 2,2-dimethylpropanoate
CID 22624922
7-butoxy-3-ethyl-6-methoxy-2-methylquinazolin-4-one
CID 134112398
10-bromo-2-[3-(diethylamino)propoxy]-3-methoxyquinazolino[4,3-b]quinazolin-8-one
CID 141212925
2-(3-ethyl-6,7-dimethoxy-4-oxoquinazolin-2-yl)sulfanylacetic acid
CID 7174419
N-(tert-butylsulfamoyl)-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide
CID 166393120
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)butanamide
CID 51276831
5-[3-(diethylamino)propoxy]-4-methoxy-13-thia-8,10,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,12(16),14-heptaen-11-one
CID 46872444
2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]acetamide
CID 91638290
4-[(6,7-dimethoxy-4-oxoquinazolin-3-yl)methyl]benzoate
CID 7749360
3-(2,5-ditert-butyl-4-methoxyphenoxy)propyl 2,2-dimethylbutanoate
CID 126627871

Frequently Asked Questions

What is the IUPAC name of [7-(3-hydroxypropoxy)-6-methoxy-4-oxoquinazolin-3-yl] 2,2-dimethylbutanoate?
The IUPAC name of [7-(3-hydroxypropoxy)-6-methoxy-4-oxoquinazolin-3-yl] 2,2-dimethylbutanoate (CID 69284399) is [7-(3-hydroxypropoxy)-6-methoxy-4-oxoquinazolin-3-yl] 2,2-dimethylbutanoate.
What is the SMILES notation for [7-(3-hydroxypropoxy)-6-methoxy-4-oxoquinazolin-3-yl] 2,2-dimethylbutanoate?
The canonical SMILES for [7-(3-hydroxypropoxy)-6-methoxy-4-oxoquinazolin-3-yl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)On1cnc2cc(OCCCO)c(OC)cc2c1=O.
What is the InChIKey of [7-(3-hydroxypropoxy)-6-methoxy-4-oxoquinazolin-3-yl] 2,2-dimethylbutanoate?
The InChIKey is NWMPULKDKNDVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-5-18(2,3)17(23)26-20-11-19-13-10-15(25-8-6-7-21)14(24-4)9-12(13)16(20)22/h9-11,21H,5-8H2,1-4H3.
What are the key properties of [7-(3-hydroxypropoxy)-6-methoxy-4-oxoquinazolin-3-yl] 2,2-dimethylbutanoate?
[7-(3-hydroxypropoxy)-6-methoxy-4-oxoquinazolin-3-yl] 2,2-dimethylbutanoate has a molecular weight of 364.40 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3-hydroxypropoxy)-6-methoxy-4-oxoquinazolin-3-yl] 2,2-dimethylbutanoate is sourced from PubChem (CID 69284399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).