[7-methoxy-3-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)naphthalen-2-yl] acetate

C22H19NO4 — CID 135068356

IUPAC[7-methoxy-3-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)naphthalen-2-yl] acetate
SMILESCOc1ccc2cc(-c3ccc4c(n3)CCCC4=O)c(OC(C)=O)cc2c1
InChIInChI=1S/C22H19NO4/c1-13(24)27-22-12-15-10-16(26-2)7-6-14(15)11-18(22)20-9-8-17-19(23-20)4-3-5-21(17)25/h6-12H,3-5H2,1-2H3
InChIKeyQQHRFUWYEBMTFF-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.35
Rot. Bonds3

About [7-methoxy-3-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)naphthalen-2-yl] acetate

[7-methoxy-3-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)naphthalen-2-yl] acetate (PubChem CID 135068356) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is [7-methoxy-3-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)naphthalen-2-yl] acetate.

Molecular Properties

Compound Name[7-methoxy-3-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)naphthalen-2-yl] acetate
PubChem CID135068356
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name[7-methoxy-3-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)naphthalen-2-yl] acetate
SMILESCOc1ccc2cc(-c3ccc4c(n3)CCCC4=O)c(OC(C)=O)cc2c1
InChIInChI=1S/C22H19NO4/c1-13(24)27-22-12-15-10-16(26-2)7-6-14(15)11-18(22)20-9-8-17-19(23-20)4-3-5-21(17)25/h6-12H,3-5H2,1-2H3
InChIKeyQQHRFUWYEBMTFF-UHFFFAOYSA-N
XLogP4.35
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [7-methoxy-3-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)naphthalen-2-yl] acetate?
The IUPAC name of [7-methoxy-3-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)naphthalen-2-yl] acetate (CID 135068356) is [7-methoxy-3-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)naphthalen-2-yl] acetate.
What is the SMILES notation for [7-methoxy-3-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)naphthalen-2-yl] acetate?
The canonical SMILES for [7-methoxy-3-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)naphthalen-2-yl] acetate is COc1ccc2cc(-c3ccc4c(n3)CCCC4=O)c(OC(C)=O)cc2c1.
What is the InChIKey of [7-methoxy-3-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)naphthalen-2-yl] acetate?
The InChIKey is QQHRFUWYEBMTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-13(24)27-22-12-15-10-16(26-2)7-6-14(15)11-18(22)20-9-8-17-19(23-20)4-3-5-21(17)25/h6-12H,3-5H2,1-2H3.
What are the key properties of [7-methoxy-3-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)naphthalen-2-yl] acetate?
[7-methoxy-3-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)naphthalen-2-yl] acetate has a molecular weight of 361.40 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-methoxy-3-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)naphthalen-2-yl] acetate is sourced from PubChem (CID 135068356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).