8-methoxy-4-(2-methoxyethyl)-5H-[1,4]oxazepino[7,6-b]quinolin-3-one

C16H18N2O4 — CID 95806900

IUPAC8-methoxy-4-(2-methoxyethyl)-5H-[1,4]oxazepino[7,6-b]quinolin-3-one
SMILESCOCCN1Cc2cc3cc(OC)ccc3nc2OCC1=O
InChIInChI=1S/C16H18N2O4/c1-20-6-5-18-9-12-7-11-8-13(21-2)3-4-14(11)17-16(12)22-10-15(18)19/h3-4,7-8H,5-6,9-10H2,1-2H3
InChIKeyZIERBWDHNMCHAT-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.61
Rot. Bonds4

About 8-methoxy-4-(2-methoxyethyl)-5H-[1,4]oxazepino[7,6-b]quinolin-3-one

8-methoxy-4-(2-methoxyethyl)-5H-[1,4]oxazepino[7,6-b]quinolin-3-one (PubChem CID 95806900) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 8-methoxy-4-(2-methoxyethyl)-5H-[1,4]oxazepino[7,6-b]quinolin-3-one.

Molecular Properties

Compound Name8-methoxy-4-(2-methoxyethyl)-5H-[1,4]oxazepino[7,6-b]quinolin-3-one
PubChem CID95806900
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name8-methoxy-4-(2-methoxyethyl)-5H-[1,4]oxazepino[7,6-b]quinolin-3-one
SMILESCOCCN1Cc2cc3cc(OC)ccc3nc2OCC1=O
InChIInChI=1S/C16H18N2O4/c1-20-6-5-18-9-12-7-11-8-13(21-2)3-4-14(11)17-16(12)22-10-15(18)19/h3-4,7-8H,5-6,9-10H2,1-2H3
InChIKeyZIERBWDHNMCHAT-UHFFFAOYSA-N
XLogP1.61
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-(2-methoxyethyl)-5H-[1,4]oxazepino[7,6-b]quinolin-3-one?
The IUPAC name of 8-methoxy-4-(2-methoxyethyl)-5H-[1,4]oxazepino[7,6-b]quinolin-3-one (CID 95806900) is 8-methoxy-4-(2-methoxyethyl)-5H-[1,4]oxazepino[7,6-b]quinolin-3-one.
What is the SMILES notation for 8-methoxy-4-(2-methoxyethyl)-5H-[1,4]oxazepino[7,6-b]quinolin-3-one?
The canonical SMILES for 8-methoxy-4-(2-methoxyethyl)-5H-[1,4]oxazepino[7,6-b]quinolin-3-one is COCCN1Cc2cc3cc(OC)ccc3nc2OCC1=O.
What is the InChIKey of 8-methoxy-4-(2-methoxyethyl)-5H-[1,4]oxazepino[7,6-b]quinolin-3-one?
The InChIKey is ZIERBWDHNMCHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-20-6-5-18-9-12-7-11-8-13(21-2)3-4-14(11)17-16(12)22-10-15(18)19/h3-4,7-8H,5-6,9-10H2,1-2H3.
What are the key properties of 8-methoxy-4-(2-methoxyethyl)-5H-[1,4]oxazepino[7,6-b]quinolin-3-one?
8-methoxy-4-(2-methoxyethyl)-5H-[1,4]oxazepino[7,6-b]quinolin-3-one has a molecular weight of 302.33 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-(2-methoxyethyl)-5H-[1,4]oxazepino[7,6-b]quinolin-3-one is sourced from PubChem (CID 95806900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).