7-(dibutylamino)-4-methylchromen-2-one

C18H25NO2 — CID 57354868

IUPAC7-(dibutylamino)-4-methylchromen-2-one
SMILESCCCCN(CCCC)c1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C18H25NO2/c1-4-6-10-19(11-7-5-2)15-8-9-16-14(3)12-18(20)21-17(16)13-15/h8-9,12-13H,4-7,10-11H2,1-3H3
InChIKeyKUWCNPZOXBLVSI-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.51
Rot. Bonds7

About 7-(dibutylamino)-4-methylchromen-2-one

7-(dibutylamino)-4-methylchromen-2-one (PubChem CID 57354868) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 7-(dibutylamino)-4-methylchromen-2-one.

Molecular Properties

Compound Name7-(dibutylamino)-4-methylchromen-2-one
PubChem CID57354868
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name7-(dibutylamino)-4-methylchromen-2-one
SMILESCCCCN(CCCC)c1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C18H25NO2/c1-4-6-10-19(11-7-5-2)15-8-9-16-14(3)12-18(20)21-17(16)13-15/h8-9,12-13H,4-7,10-11H2,1-3H3
InChIKeyKUWCNPZOXBLVSI-UHFFFAOYSA-N
XLogP4.51
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-(diethylamino)-4-methylchromen-2-one sulfate
CID 23622381
7-[ethyl(methyl)amino]-4-methylchromen-2-one
CID 142927379
sodium;7-(diethylamino)-4-methylchromen-2-one;hydride;sulfuric acid
CID 174050797
4-methyl-7-(pentylamino)chromen-2-one
CID 88996425
7-[6-hydroxyhexyl(methyl)amino]-4-methylchromen-2-one
CID 139664069
7-(diethylamino)-5-methylchromen-2-one
CID 164804520
7-ethyl-4-methylchromen-2-one
CID 5160585
7-[(2-bromo-5-methoxyphenyl)methyl-ethylamino]-4-methylchromen-2-one
CID 134836131
1,1-dihexyl-3-(4-methyl-2-oxochromen-7-yl)thiourea
CID 19653426
3-(dibutylamino)naphtho[3,2-b][1]benzofuran-6,11-diol
CID 10883366
potassium trifluoro-(4-methyl-2-oxochromen-7-yl)boranuide
CID 170902365
7-[butyl(5-cyclobutylpentyl)amino]chromen-2-one
CID 130460757

Frequently Asked Questions

What is the IUPAC name of 7-(dibutylamino)-4-methylchromen-2-one?
The IUPAC name of 7-(dibutylamino)-4-methylchromen-2-one (CID 57354868) is 7-(dibutylamino)-4-methylchromen-2-one.
What is the SMILES notation for 7-(dibutylamino)-4-methylchromen-2-one?
The canonical SMILES for 7-(dibutylamino)-4-methylchromen-2-one is CCCCN(CCCC)c1ccc2c(C)cc(=O)oc2c1.
What is the InChIKey of 7-(dibutylamino)-4-methylchromen-2-one?
The InChIKey is KUWCNPZOXBLVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-4-6-10-19(11-7-5-2)15-8-9-16-14(3)12-18(20)21-17(16)13-15/h8-9,12-13H,4-7,10-11H2,1-3H3.
What are the key properties of 7-(dibutylamino)-4-methylchromen-2-one?
7-(dibutylamino)-4-methylchromen-2-one has a molecular weight of 287.40 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dibutylamino)-4-methylchromen-2-one is sourced from PubChem (CID 57354868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).