4,6-diethyl-7-(ethylamino)chromen-2-one;7-(dimethylamino)-4,6-diethylchromen-2-one

C30H38N2O4 — CID 159295522

IUPAC4,6-diethyl-7-(ethylamino)chromen-2-one;7-(dimethylamino)-4,6-diethylchromen-2-one
SMILESCCNc1cc2oc(=O)cc(CC)c2cc1CC.CCc1cc2c(CC)cc(=O)oc2cc1N(C)C
InChIInChI=1S/2C15H19NO2/c1-5-10-8-15(17)18-14-9-13(16(3)4)11(6-2)7-12(10)14;1-4-10-8-15(17)18-14-9-13(16-6-3)11(5-2)7-12(10)14/h7-9H,5-6H2,1-4H3;7-9,16H,4-6H2,1-3H3
InChIKeyLAQYWJVNQRJZDX-UHFFFAOYSA-N
MW490.64 g/mol
LogP6.33
Rot. Bonds7

About 4,6-diethyl-7-(ethylamino)chromen-2-one;7-(dimethylamino)-4,6-diethylchromen-2-one

4,6-diethyl-7-(ethylamino)chromen-2-one;7-(dimethylamino)-4,6-diethylchromen-2-one (PubChem CID 159295522) has the molecular formula C30H38N2O4 and a molecular weight of 490.64 g/mol. Its IUPAC name is 4,6-diethyl-7-(ethylamino)chromen-2-one;7-(dimethylamino)-4,6-diethylchromen-2-one.

Molecular Properties

Compound Name4,6-diethyl-7-(ethylamino)chromen-2-one;7-(dimethylamino)-4,6-diethylchromen-2-one
PubChem CID159295522
Molecular FormulaC30H38N2O4
Molecular Weight490.64 g/mol
Exact Mass490.28
IUPAC Name4,6-diethyl-7-(ethylamino)chromen-2-one;7-(dimethylamino)-4,6-diethylchromen-2-one
SMILESCCNc1cc2oc(=O)cc(CC)c2cc1CC.CCc1cc2c(CC)cc(=O)oc2cc1N(C)C
InChIInChI=1S/2C15H19NO2/c1-5-10-8-15(17)18-14-9-13(16(3)4)11(6-2)7-12(10)14;1-4-10-8-15(17)18-14-9-13(16-6-3)11(5-2)7-12(10)14/h7-9H,5-6H2,1-4H3;7-9,16H,4-6H2,1-3H3
InChIKeyLAQYWJVNQRJZDX-UHFFFAOYSA-N
XLogP6.33
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.64
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4,6-diethyl-7-(ethylamino)chromen-2-one
CID 22476791
7-(ethylamino)-4,6-dipentylchromen-2-one
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CID 158924027
6-bromo-4-ethyl-7-methoxychromen-2-one
CID 130464576
4-ethyl-7-hydroxy-6-methoxychromen-2-one
CID 119087961
2-[7-(dimethylamino)-2-oxochromen-4-yl]acetic acid
CID 2762622
7-(dimethylamino)-4-(prop-2-ynylamino)chromen-2-one
CID 87407567
7-(dimethylamino)-4-(2-methylpropyl)chromen-2-one
CID 88684463
(2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N,N,3-trimethylbutanamide
CID 124883071
1-N-ethyl-2-N,2-N,4-trimethylbenzene-1,2-diamine
CID 59688677
6-ethyl-7-hydroxy-4-[[[(2R)-3-methylbutan-2-yl]amino]methyl]chromen-2-one
CID 8744144
potassium 2-[7-(dimethylamino)-2-oxochromen-4-yl]ethylazanide
CID 155716771

Frequently Asked Questions

What is the IUPAC name of 4,6-diethyl-7-(ethylamino)chromen-2-one;7-(dimethylamino)-4,6-diethylchromen-2-one?
The IUPAC name of 4,6-diethyl-7-(ethylamino)chromen-2-one;7-(dimethylamino)-4,6-diethylchromen-2-one (CID 159295522) is 4,6-diethyl-7-(ethylamino)chromen-2-one;7-(dimethylamino)-4,6-diethylchromen-2-one.
What is the SMILES notation for 4,6-diethyl-7-(ethylamino)chromen-2-one;7-(dimethylamino)-4,6-diethylchromen-2-one?
The canonical SMILES for 4,6-diethyl-7-(ethylamino)chromen-2-one;7-(dimethylamino)-4,6-diethylchromen-2-one is CCNc1cc2oc(=O)cc(CC)c2cc1CC.CCc1cc2c(CC)cc(=O)oc2cc1N(C)C.
What is the InChIKey of 4,6-diethyl-7-(ethylamino)chromen-2-one;7-(dimethylamino)-4,6-diethylchromen-2-one?
The InChIKey is LAQYWJVNQRJZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H19NO2/c1-5-10-8-15(17)18-14-9-13(16(3)4)11(6-2)7-12(10)14;1-4-10-8-15(17)18-14-9-13(16-6-3)11(5-2)7-12(10)14/h7-9H,5-6H2,1-4H3;7-9,16H,4-6H2,1-3H3.
What are the key properties of 4,6-diethyl-7-(ethylamino)chromen-2-one;7-(dimethylamino)-4,6-diethylchromen-2-one?
4,6-diethyl-7-(ethylamino)chromen-2-one;7-(dimethylamino)-4,6-diethylchromen-2-one has a molecular weight of 490.64 g/mol, XLogP of 6.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethyl-7-(ethylamino)chromen-2-one;7-(dimethylamino)-4,6-diethylchromen-2-one is sourced from PubChem (CID 159295522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).