methyl 2-[4-[(7-methoxy-1,2,4-benzotriazin-3-yl)oxy]phenoxy]propanoate

C18H17N3O5 — CID 11142795

IUPACmethyl 2-[4-[(7-methoxy-1,2,4-benzotriazin-3-yl)oxy]phenoxy]propanoate
SMILESCOC(=O)C(C)Oc1ccc(Oc2nnc3cc(OC)ccc3n2)cc1
InChIInChI=1S/C18H17N3O5/c1-11(17(22)24-3)25-12-4-6-13(7-5-12)26-18-19-15-9-8-14(23-2)10-16(15)20-21-18/h4-11H,1-3H3
InChIKeyQDWOENBMWKFZQV-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.77
Rot. Bonds6

About methyl 2-[4-[(7-methoxy-1,2,4-benzotriazin-3-yl)oxy]phenoxy]propanoate

methyl 2-[4-[(7-methoxy-1,2,4-benzotriazin-3-yl)oxy]phenoxy]propanoate (PubChem CID 11142795) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is methyl 2-[4-[(7-methoxy-1,2,4-benzotriazin-3-yl)oxy]phenoxy]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-[(7-methoxy-1,2,4-benzotriazin-3-yl)oxy]phenoxy]propanoate
PubChem CID11142795
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC Namemethyl 2-[4-[(7-methoxy-1,2,4-benzotriazin-3-yl)oxy]phenoxy]propanoate
SMILESCOC(=O)C(C)Oc1ccc(Oc2nnc3cc(OC)ccc3n2)cc1
InChIInChI=1S/C18H17N3O5/c1-11(17(22)24-3)25-12-4-6-13(7-5-12)26-18-19-15-9-8-14(23-2)10-16(15)20-21-18/h4-11H,1-3H3
InChIKeyQDWOENBMWKFZQV-UHFFFAOYSA-N
XLogP2.77
TPSA92.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-[4-[(7-methoxy-1,2,4-benzotriazin-3-yl)oxy]phenoxy]propanoate with MolForge

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Related Compounds

2-[4-[(6-chloro-1,2,4-benzotriazin-3-yl)oxy]phenoxy]propanoic acid
CID 10970039
methyl 2-[4-(7-aminoquinoxalin-2-yl)oxyphenoxy]propanoate
CID 10830920
methyl (2S)-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
CID 2427450
2-[4-(7-methoxyquinoxalin-2-yl)oxyphenoxy]propanoic acid
CID 10807054
methyl 2-(6-methoxy-2-methylquinolin-4-yl)oxypropanoate
CID 53269444
methyl (2S)-2-(3,5-dimethoxyphenoxy)propanoate
CID 97170688
methyl 2-[4-[(7-chloro-4-oxido-1,2,4-benzotriazin-4-ium-3-yl)oxy]phenoxy]propanoate
CID 70540251
methyl 2-[4-[(6-bromo-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate
CID 54135021
2-(4-pyrimidin-2-yloxyphenoxy)propanamide
CID 133330250
N-methoxy-2-(4-methoxyphenoxy)propanamide
CID 46565224
ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551
methyl 2-[4-(4-nitrophenoxy)phenoxy]propanoate
CID 71372462

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(7-methoxy-1,2,4-benzotriazin-3-yl)oxy]phenoxy]propanoate?
The IUPAC name of methyl 2-[4-[(7-methoxy-1,2,4-benzotriazin-3-yl)oxy]phenoxy]propanoate (CID 11142795) is methyl 2-[4-[(7-methoxy-1,2,4-benzotriazin-3-yl)oxy]phenoxy]propanoate.
What is the SMILES notation for methyl 2-[4-[(7-methoxy-1,2,4-benzotriazin-3-yl)oxy]phenoxy]propanoate?
The canonical SMILES for methyl 2-[4-[(7-methoxy-1,2,4-benzotriazin-3-yl)oxy]phenoxy]propanoate is COC(=O)C(C)Oc1ccc(Oc2nnc3cc(OC)ccc3n2)cc1.
What is the InChIKey of methyl 2-[4-[(7-methoxy-1,2,4-benzotriazin-3-yl)oxy]phenoxy]propanoate?
The InChIKey is QDWOENBMWKFZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5/c1-11(17(22)24-3)25-12-4-6-13(7-5-12)26-18-19-15-9-8-14(23-2)10-16(15)20-21-18/h4-11H,1-3H3.
What are the key properties of methyl 2-[4-[(7-methoxy-1,2,4-benzotriazin-3-yl)oxy]phenoxy]propanoate?
methyl 2-[4-[(7-methoxy-1,2,4-benzotriazin-3-yl)oxy]phenoxy]propanoate has a molecular weight of 355.35 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(7-methoxy-1,2,4-benzotriazin-3-yl)oxy]phenoxy]propanoate is sourced from PubChem (CID 11142795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).