[2-oxo-2-(4-oxo-6-propyl-3-pyridin-2-ylchromen-7-yl)oxyethyl]azanium

C19H19N2O4+ — CID 6954988

IUPAC[2-oxo-2-(4-oxo-6-propyl-3-pyridin-2-ylchromen-7-yl)oxyethyl]azanium
SMILESCCCc1cc2c(=O)c(-c3ccccn3)coc2cc1OC(=O)C[NH3+]
InChIInChI=1S/C19H18N2O4/c1-2-5-12-8-13-17(9-16(12)25-18(22)10-20)24-11-14(19(13)23)15-6-3-4-7-21-15/h3-4,6-9,11H,2,5,10,20H2,1H3/p+1
InChIKeyDBJMDBORZIMDNJ-UHFFFAOYSA-O
MW339.37 g/mol
LogP1.95
Rot. Bonds5

About [2-oxo-2-(4-oxo-6-propyl-3-pyridin-2-ylchromen-7-yl)oxyethyl]azanium

[2-oxo-2-(4-oxo-6-propyl-3-pyridin-2-ylchromen-7-yl)oxyethyl]azanium (PubChem CID 6954988) has the molecular formula C19H19N2O4+ and a molecular weight of 339.37 g/mol. Its IUPAC name is [2-oxo-2-(4-oxo-6-propyl-3-pyridin-2-ylchromen-7-yl)oxyethyl]azanium.

Molecular Properties

Compound Name[2-oxo-2-(4-oxo-6-propyl-3-pyridin-2-ylchromen-7-yl)oxyethyl]azanium
PubChem CID6954988
Molecular FormulaC19H19N2O4+
Molecular Weight339.37 g/mol
Exact Mass339.13
IUPAC Name[2-oxo-2-(4-oxo-6-propyl-3-pyridin-2-ylchromen-7-yl)oxyethyl]azanium
SMILESCCCc1cc2c(=O)c(-c3ccccn3)coc2cc1OC(=O)C[NH3+]
InChIInChI=1S/C19H18N2O4/c1-2-5-12-8-13-17(9-16(12)25-18(22)10-20)24-11-14(19(13)23)15-6-3-4-7-21-15/h3-4,6-9,11H,2,5,10,20H2,1H3/p+1
InChIKeyDBJMDBORZIMDNJ-UHFFFAOYSA-O
XLogP1.95
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-6-propyl-3-pyridin-2-ylchromen-4-one
CID 740743
(6-ethyl-4-oxo-3-pyridin-2-ylchromen-7-yl) acetate
CID 740771
6-ethyl-7-methoxy-3-pyridin-2-ylchromen-4-one
CID 854598
sodium 2-(4-oxo-3-pyridin-2-ylchromen-7-yl)oxyacetate
CID 23704767
[6-hexyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-yl] benzoate
CID 100931668
[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propylchromen-7-yl] 3-cyclopentylpropanoate
CID 4630209
ethyl 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propylchromen-7-yl]oxyacetate
CID 1307254
(4-oxo-3-pyridin-2-ylchromen-7-yl) formate
CID 4645423
ethyl (2S)-2-[3-(4-methyl-1,3-thiazol-2-yl)-4-oxo-6-propylchromen-7-yl]oxypropanoate
CID 7344780
ethyl 2-[6-ethyl-4-oxo-3-(4-phenyl-1,3-thiazol-2-yl)chromen-7-yl]oxypropanoate
CID 4018235
7-[(2-chlorophenyl)methoxy]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylchromen-4-one
CID 4627341
ethyl 2-[6-hexyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl]oxypropanoate
CID 3637326

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-oxo-6-propyl-3-pyridin-2-ylchromen-7-yl)oxyethyl]azanium?
The IUPAC name of [2-oxo-2-(4-oxo-6-propyl-3-pyridin-2-ylchromen-7-yl)oxyethyl]azanium (CID 6954988) is [2-oxo-2-(4-oxo-6-propyl-3-pyridin-2-ylchromen-7-yl)oxyethyl]azanium.
What is the SMILES notation for [2-oxo-2-(4-oxo-6-propyl-3-pyridin-2-ylchromen-7-yl)oxyethyl]azanium?
The canonical SMILES for [2-oxo-2-(4-oxo-6-propyl-3-pyridin-2-ylchromen-7-yl)oxyethyl]azanium is CCCc1cc2c(=O)c(-c3ccccn3)coc2cc1OC(=O)C[NH3+].
What is the InChIKey of [2-oxo-2-(4-oxo-6-propyl-3-pyridin-2-ylchromen-7-yl)oxyethyl]azanium?
The InChIKey is DBJMDBORZIMDNJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H18N2O4/c1-2-5-12-8-13-17(9-16(12)25-18(22)10-20)24-11-14(19(13)23)15-6-3-4-7-21-15/h3-4,6-9,11H,2,5,10,20H2,1H3/p+1.
What are the key properties of [2-oxo-2-(4-oxo-6-propyl-3-pyridin-2-ylchromen-7-yl)oxyethyl]azanium?
[2-oxo-2-(4-oxo-6-propyl-3-pyridin-2-ylchromen-7-yl)oxyethyl]azanium has a molecular weight of 339.37 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-oxo-6-propyl-3-pyridin-2-ylchromen-7-yl)oxyethyl]azanium is sourced from PubChem (CID 6954988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).