4-[4-[(2-methoxyethylamino)methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7-methylchromen-2-one

C22H22N2O4 — CID 71827296

IUPAC4-[4-[(2-methoxyethylamino)methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7-methylchromen-2-one
SMILESCOCCNCc1cnc(C)c2oc(-c3cc(=O)oc4cc(C)ccc34)cc12
InChIInChI=1S/C22H22N2O4/c1-13-4-5-16-18(10-21(25)27-19(16)8-13)20-9-17-15(11-23-6-7-26-3)12-24-14(2)22(17)28-20/h4-5,8-10,12,23H,6-7,11H2,1-3H3
InChIKeyBIJNBQVSRIHIFJ-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.95
Rot. Bonds6

About 4-[4-[(2-methoxyethylamino)methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7-methylchromen-2-one

4-[4-[(2-methoxyethylamino)methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7-methylchromen-2-one (PubChem CID 71827296) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-[4-[(2-methoxyethylamino)methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7-methylchromen-2-one.

Molecular Properties

Compound Name4-[4-[(2-methoxyethylamino)methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7-methylchromen-2-one
PubChem CID71827296
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name4-[4-[(2-methoxyethylamino)methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7-methylchromen-2-one
SMILESCOCCNCc1cnc(C)c2oc(-c3cc(=O)oc4cc(C)ccc34)cc12
InChIInChI=1S/C22H22N2O4/c1-13-4-5-16-18(10-21(25)27-19(16)8-13)20-9-17-15(11-23-6-7-26-3)12-24-14(2)22(17)28-20/h4-5,8-10,12,23H,6-7,11H2,1-3H3
InChIKeyBIJNBQVSRIHIFJ-UHFFFAOYSA-N
XLogP3.95
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6,7-dimethyl-4-[7-methyl-4-[(2-methylpropylamino)methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one;hydrochloride
CID 71825978
7,8-dimethyl-4-[7-methyl-4-[(pyridin-3-ylmethylamino)methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one;dihydrochloride
CID 71829113
6,7-dimethyl-4-[[2-(4-methylphenoxy)ethylamino]methyl]chromen-2-one
CID 9256827
8-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-[1,3]dioxolo[4,5-g]chromen-6-one;dihydrochloride
CID 71829012
7-methyl-4-(methylaminomethyl)chromen-2-one
CID 27153679
N-[[5-(1-benzofuran-3-yl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
CID 65181372
4-[[2-(4-ethoxyphenoxy)ethylamino]methyl]-6,7-dimethylchromen-2-one
CID 9436672
methyl 4-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]butanoate
CID 63324887
2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 65181879
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide
CID 171385232
2-(7-methyl-2-oxochromen-4-yl)acetate
CID 4257034
3-[(2-methoxyethylamino)methyl]-6-(4-methylphenyl)-1H-pyridin-2-one
CID 82520963

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-methoxyethylamino)methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7-methylchromen-2-one?
The IUPAC name of 4-[4-[(2-methoxyethylamino)methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7-methylchromen-2-one (CID 71827296) is 4-[4-[(2-methoxyethylamino)methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7-methylchromen-2-one.
What is the SMILES notation for 4-[4-[(2-methoxyethylamino)methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7-methylchromen-2-one?
The canonical SMILES for 4-[4-[(2-methoxyethylamino)methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7-methylchromen-2-one is COCCNCc1cnc(C)c2oc(-c3cc(=O)oc4cc(C)ccc34)cc12.
What is the InChIKey of 4-[4-[(2-methoxyethylamino)methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7-methylchromen-2-one?
The InChIKey is BIJNBQVSRIHIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-13-4-5-16-18(10-21(25)27-19(16)8-13)20-9-17-15(11-23-6-7-26-3)12-24-14(2)22(17)28-20/h4-5,8-10,12,23H,6-7,11H2,1-3H3.
What are the key properties of 4-[4-[(2-methoxyethylamino)methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7-methylchromen-2-one?
4-[4-[(2-methoxyethylamino)methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7-methylchromen-2-one has a molecular weight of 378.43 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-methoxyethylamino)methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7-methylchromen-2-one is sourced from PubChem (CID 71827296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).