methyl 2-(7-methoxy-2,4-dioxo-1H-quinazolin-3-yl)hexanoate

C16H20N2O5 — CID 68751633

IUPACmethyl 2-(7-methoxy-2,4-dioxo-1H-quinazolin-3-yl)hexanoate
SMILESCCCCC(C(=O)OC)n1c(=O)[nH]c2cc(OC)ccc2c1=O
InChIInChI=1S/C16H20N2O5/c1-4-5-6-13(15(20)23-3)18-14(19)11-8-7-10(22-2)9-12(11)17-16(18)21/h7-9,13H,4-6H2,1-3H3,(H,17,21)
InChIKeyGLGLMZGEYDGGCF-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.60
Rot. Bonds6

About methyl 2-(7-methoxy-2,4-dioxo-1H-quinazolin-3-yl)hexanoate

methyl 2-(7-methoxy-2,4-dioxo-1H-quinazolin-3-yl)hexanoate (PubChem CID 68751633) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is methyl 2-(7-methoxy-2,4-dioxo-1H-quinazolin-3-yl)hexanoate.

Molecular Properties

Compound Namemethyl 2-(7-methoxy-2,4-dioxo-1H-quinazolin-3-yl)hexanoate
PubChem CID68751633
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Namemethyl 2-(7-methoxy-2,4-dioxo-1H-quinazolin-3-yl)hexanoate
SMILESCCCCC(C(=O)OC)n1c(=O)[nH]c2cc(OC)ccc2c1=O
InChIInChI=1S/C16H20N2O5/c1-4-5-6-13(15(20)23-3)18-14(19)11-8-7-10(22-2)9-12(11)17-16(18)21/h7-9,13H,4-6H2,1-3H3,(H,17,21)
InChIKeyGLGLMZGEYDGGCF-UHFFFAOYSA-N
XLogP1.60
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4907918
3-[1-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-quinazoline-7-carboxylic acid
CID 56771852
7-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 117261702
N-butyl-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 15988112
3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-quinazoline-2,4-dione
CID 117261507
N-(4-butoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4909703
3-(1-ethylpiperidin-4-yl)-7-methoxy-1H-quinazoline-2,4-dione
CID 117261540
methyl 2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)butanoate
CID 110491164
2-(6-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 70238324
3-amino-6-methoxy-1H-indole-2-carbohydrazide;hydrochloride
CID 112756295
3-methyl-7-(octadecylamino)-1H-quinazoline-2,4-dione
CID 14393061
3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-methoxy-1H-quinazoline-2,4-dione
CID 170392769

Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-methoxy-2,4-dioxo-1H-quinazolin-3-yl)hexanoate?
The IUPAC name of methyl 2-(7-methoxy-2,4-dioxo-1H-quinazolin-3-yl)hexanoate (CID 68751633) is methyl 2-(7-methoxy-2,4-dioxo-1H-quinazolin-3-yl)hexanoate.
What is the SMILES notation for methyl 2-(7-methoxy-2,4-dioxo-1H-quinazolin-3-yl)hexanoate?
The canonical SMILES for methyl 2-(7-methoxy-2,4-dioxo-1H-quinazolin-3-yl)hexanoate is CCCCC(C(=O)OC)n1c(=O)[nH]c2cc(OC)ccc2c1=O.
What is the InChIKey of methyl 2-(7-methoxy-2,4-dioxo-1H-quinazolin-3-yl)hexanoate?
The InChIKey is GLGLMZGEYDGGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-4-5-6-13(15(20)23-3)18-14(19)11-8-7-10(22-2)9-12(11)17-16(18)21/h7-9,13H,4-6H2,1-3H3,(H,17,21).
What are the key properties of methyl 2-(7-methoxy-2,4-dioxo-1H-quinazolin-3-yl)hexanoate?
methyl 2-(7-methoxy-2,4-dioxo-1H-quinazolin-3-yl)hexanoate has a molecular weight of 320.35 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-methoxy-2,4-dioxo-1H-quinazolin-3-yl)hexanoate is sourced from PubChem (CID 68751633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).