3-(2-ethoxypropylidene)-6-(quinolin-2-ylmethoxy)chromen-4-one

C24H23NO4 — CID 54129454

IUPAC3-(2-ethoxypropylidene)-6-(quinolin-2-ylmethoxy)chromen-4-one
SMILESCCOC(C)C=C1COc2ccc(OCc3ccc4ccccc4n3)cc2C1=O
InChIInChI=1S/C24H23NO4/c1-3-27-16(2)12-18-14-29-23-11-10-20(13-21(23)24(18)26)28-15-19-9-8-17-6-4-5-7-22(17)25-19/h4-13,16H,3,14-15H2,1-2H3
InChIKeyNTHRGUCAJNMTFA-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.74
Rot. Bonds6

About 3-(2-ethoxypropylidene)-6-(quinolin-2-ylmethoxy)chromen-4-one

3-(2-ethoxypropylidene)-6-(quinolin-2-ylmethoxy)chromen-4-one (PubChem CID 54129454) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is 3-(2-ethoxypropylidene)-6-(quinolin-2-ylmethoxy)chromen-4-one.

Molecular Properties

Compound Name3-(2-ethoxypropylidene)-6-(quinolin-2-ylmethoxy)chromen-4-one
PubChem CID54129454
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name3-(2-ethoxypropylidene)-6-(quinolin-2-ylmethoxy)chromen-4-one
SMILESCCOC(C)C=C1COc2ccc(OCc3ccc4ccccc4n3)cc2C1=O
InChIInChI=1S/C24H23NO4/c1-3-27-16(2)12-18-14-29-23-11-10-20(13-21(23)24(18)26)28-15-19-9-8-17-6-4-5-7-22(17)25-19/h4-13,16H,3,14-15H2,1-2H3
InChIKeyNTHRGUCAJNMTFA-UHFFFAOYSA-N
XLogP4.74
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-propan-2-yl-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol
CID 14422709
2-(cyclopentylmethylidene)-7-(quinolin-2-ylmethoxy)-3,4-dihydronaphthalen-1-one
CID 54014151
3-propan-2-yloxy-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol
CID 14422695
2-(quinolin-2-ylmethoxy)-11H-benzo[c][1]benzoxepin-6-imine
CID 139800463
2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline
CID 18727386
[3-(quinolin-2-ylmethoxy)phenyl]boronic acid
CID 43327889
2-butyl-7-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
CID 19990539
2-[[3-(1,3-dioxolan-2-yl)phenoxy]methyl]quinoline
CID 19864853
methyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate
CID 23224644
(3E)-3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one
CID 31762948
2-[[4-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]phenoxy]methyl]quinoline
CID 142083930
1-pyridin-4-yl-9-(quinolin-2-ylmethoxy)-5,6-dihydropyrazolo[1,5-d][1,4]benzoxazepine
CID 23642214

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxypropylidene)-6-(quinolin-2-ylmethoxy)chromen-4-one?
The IUPAC name of 3-(2-ethoxypropylidene)-6-(quinolin-2-ylmethoxy)chromen-4-one (CID 54129454) is 3-(2-ethoxypropylidene)-6-(quinolin-2-ylmethoxy)chromen-4-one.
What is the SMILES notation for 3-(2-ethoxypropylidene)-6-(quinolin-2-ylmethoxy)chromen-4-one?
The canonical SMILES for 3-(2-ethoxypropylidene)-6-(quinolin-2-ylmethoxy)chromen-4-one is CCOC(C)C=C1COc2ccc(OCc3ccc4ccccc4n3)cc2C1=O.
What is the InChIKey of 3-(2-ethoxypropylidene)-6-(quinolin-2-ylmethoxy)chromen-4-one?
The InChIKey is NTHRGUCAJNMTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-3-27-16(2)12-18-14-29-23-11-10-20(13-21(23)24(18)26)28-15-19-9-8-17-6-4-5-7-22(17)25-19/h4-13,16H,3,14-15H2,1-2H3.
What are the key properties of 3-(2-ethoxypropylidene)-6-(quinolin-2-ylmethoxy)chromen-4-one?
3-(2-ethoxypropylidene)-6-(quinolin-2-ylmethoxy)chromen-4-one has a molecular weight of 389.45 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxypropylidene)-6-(quinolin-2-ylmethoxy)chromen-4-one is sourced from PubChem (CID 54129454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).