5,6,7-trimethoxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one

C21H19NO5 — CID 102564922

IUPAC5,6,7-trimethoxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one
SMILESCOc1cc2c(c(OC)c1OC)C(c1ccc3ncccc3c1)CC(=O)O2
InChIInChI=1S/C21H19NO5/c1-24-17-11-16-19(21(26-3)20(17)25-2)14(10-18(23)27-16)12-6-7-15-13(9-12)5-4-8-22-15/h4-9,11,14H,10H2,1-3H3
InChIKeyCRIHIVVYGRKVIB-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.70
Rot. Bonds4

About 5,6,7-trimethoxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one

5,6,7-trimethoxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one (PubChem CID 102564922) has the molecular formula C21H19NO5 and a molecular weight of 365.39 g/mol. Its IUPAC name is 5,6,7-trimethoxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name5,6,7-trimethoxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one
PubChem CID102564922
Molecular FormulaC21H19NO5
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC Name5,6,7-trimethoxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one
SMILESCOc1cc2c(c(OC)c1OC)C(c1ccc3ncccc3c1)CC(=O)O2
InChIInChI=1S/C21H19NO5/c1-24-17-11-16-19(21(26-3)20(17)25-2)14(10-18(23)27-16)12-6-7-15-13(9-12)5-4-8-22-15/h4-9,11,14H,10H2,1-3H3
InChIKeyCRIHIVVYGRKVIB-UHFFFAOYSA-N
XLogP3.70
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 5,6,7-trimethoxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one?
The IUPAC name of 5,6,7-trimethoxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one (CID 102564922) is 5,6,7-trimethoxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one.
What is the SMILES notation for 5,6,7-trimethoxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one?
The canonical SMILES for 5,6,7-trimethoxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one is COc1cc2c(c(OC)c1OC)C(c1ccc3ncccc3c1)CC(=O)O2.
What is the InChIKey of 5,6,7-trimethoxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one?
The InChIKey is CRIHIVVYGRKVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5/c1-24-17-11-16-19(21(26-3)20(17)25-2)14(10-18(23)27-16)12-6-7-15-13(9-12)5-4-8-22-15/h4-9,11,14H,10H2,1-3H3.
What are the key properties of 5,6,7-trimethoxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one?
5,6,7-trimethoxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one has a molecular weight of 365.39 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethoxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one is sourced from PubChem (CID 102564922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).