[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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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).