6,7-bis[2-(diethylamino)ethoxy]-4-methylchromen-2-one

C22H34N2O4 — CID 27190

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IUPAC6,7-bis[2-(diethylamino)ethoxy]-4-methylchromen-2-one
SMILESCCN(CC)CCOc1cc2oc(=O)cc(C)c2cc1OCCN(CC)CC
InChIInChI=1S/C22H34N2O4/c1-6-23(7-2)10-12-26-20-15-18-17(5)14-22(25)28-19(18)16-21(20)27-13-11-24(8-3)9-4/h14-16H,6-13H2,1-5H3
InChIKeyKDZPIXVLPYVHDO-UHFFFAOYSA-N
MW390.52 g/mol
LogP3.54
Rot. Bonds12

About 6,7-bis[2-(diethylamino)ethoxy]-4-methylchromen-2-one

6,7-bis[2-(diethylamino)ethoxy]-4-methylchromen-2-one (PubChem CID 27190) has the molecular formula C22H34N2O4 and a molecular weight of 390.52 g/mol. Its IUPAC name is 6,7-bis[2-(diethylamino)ethoxy]-4-methylchromen-2-one.

Molecular Properties

Compound Name6,7-bis[2-(diethylamino)ethoxy]-4-methylchromen-2-one
PubChem CID27190
Molecular FormulaC22H34N2O4
Molecular Weight390.52 g/mol
Exact Mass390.25
IUPAC Name6,7-bis[2-(diethylamino)ethoxy]-4-methylchromen-2-one
SMILESCCN(CC)CCOc1cc2oc(=O)cc(C)c2cc1OCCN(CC)CC
InChIInChI=1S/C22H34N2O4/c1-6-23(7-2)10-12-26-20-15-18-17(5)14-22(25)28-19(18)16-21(20)27-13-11-24(8-3)9-4/h14-16H,6-13H2,1-5H3
InChIKeyKDZPIXVLPYVHDO-UHFFFAOYSA-N
XLogP3.54
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Scoparone
CID 8417
6,7,8-Trimethoxycoumarin
CID 3083928
6,7-Dimethoxy-4-phenylcoumarin
CID 1235191
Butanoic acid, 2-(bis(2-methoxyethyl)amino)-, 2,6-dimethoxy-4-methylphenyl ester, (2R)-
CID 9885653
6,7-Diacetoxy-4-methylcoumarin
CID 148769
5,6,7-Trimethoxy-4-methyl-2H-chromen-2-one
CID 390802
6,7-bis(Acetyloxy)coumarin
CID 10467861
5,7,8-Trimethoxycoumarin
CID 6482974
7-((2E)-3,7-Dimethylocta-2,6-Dienoxy)-6-Methoxychromen-2-One
CID 5319406
7-(Acetyloxy)-6-methoxy-2H-1-benzopyran-2-one
CID 9991610
Altissimacoumarin D
CID 60201874
7,8-Dimethoxy-4-methyl-2H-chromen-2-one
CID 390797

Frequently Asked Questions

What is the IUPAC name of 6,7-bis[2-(diethylamino)ethoxy]-4-methylchromen-2-one?
The IUPAC name of 6,7-bis[2-(diethylamino)ethoxy]-4-methylchromen-2-one (CID 27190) is 6,7-bis[2-(diethylamino)ethoxy]-4-methylchromen-2-one.
What is the SMILES notation for 6,7-bis[2-(diethylamino)ethoxy]-4-methylchromen-2-one?
The canonical SMILES for 6,7-bis[2-(diethylamino)ethoxy]-4-methylchromen-2-one is CCN(CC)CCOc1cc2oc(=O)cc(C)c2cc1OCCN(CC)CC.
What is the InChIKey of 6,7-bis[2-(diethylamino)ethoxy]-4-methylchromen-2-one?
The InChIKey is KDZPIXVLPYVHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4/c1-6-23(7-2)10-12-26-20-15-18-17(5)14-22(25)28-19(18)16-21(20)27-13-11-24(8-3)9-4/h14-16H,6-13H2,1-5H3.
What are the key properties of 6,7-bis[2-(diethylamino)ethoxy]-4-methylchromen-2-one?
6,7-bis[2-(diethylamino)ethoxy]-4-methylchromen-2-one has a molecular weight of 390.52 g/mol, XLogP of 3.54, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis[2-(diethylamino)ethoxy]-4-methylchromen-2-one is sourced from PubChem (CID 27190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).