7-[3-(dimethylamino)propoxy]-3-pyridin-4-ylchromen-2-one

C19H20N2O3 — CID 23618487

IUPAC7-[3-(dimethylamino)propoxy]-3-pyridin-4-ylchromen-2-one
SMILESCN(C)CCCOc1ccc2cc(-c3ccncc3)c(=O)oc2c1
InChIInChI=1S/C19H20N2O3/c1-21(2)10-3-11-23-16-5-4-15-12-17(14-6-8-20-9-7-14)19(22)24-18(15)13-16/h4-9,12-13H,3,10-11H2,1-2H3
InChIKeyGIUKXARTXPBEFY-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.19
Rot. Bonds6

About 7-[3-(dimethylamino)propoxy]-3-pyridin-4-ylchromen-2-one

7-[3-(dimethylamino)propoxy]-3-pyridin-4-ylchromen-2-one (PubChem CID 23618487) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 7-[3-(dimethylamino)propoxy]-3-pyridin-4-ylchromen-2-one.

Molecular Properties

Compound Name7-[3-(dimethylamino)propoxy]-3-pyridin-4-ylchromen-2-one
PubChem CID23618487
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name7-[3-(dimethylamino)propoxy]-3-pyridin-4-ylchromen-2-one
SMILESCN(C)CCCOc1ccc2cc(-c3ccncc3)c(=O)oc2c1
InChIInChI=1S/C19H20N2O3/c1-21(2)10-3-11-23-16-5-4-15-12-17(14-6-8-20-9-7-14)19(22)24-18(15)13-16/h4-9,12-13H,3,10-11H2,1-2H3
InChIKeyGIUKXARTXPBEFY-UHFFFAOYSA-N
XLogP3.19
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(dimethylamino)propoxy]-3-pyridin-4-ylchromen-2-one?
The IUPAC name of 7-[3-(dimethylamino)propoxy]-3-pyridin-4-ylchromen-2-one (CID 23618487) is 7-[3-(dimethylamino)propoxy]-3-pyridin-4-ylchromen-2-one.
What is the SMILES notation for 7-[3-(dimethylamino)propoxy]-3-pyridin-4-ylchromen-2-one?
The canonical SMILES for 7-[3-(dimethylamino)propoxy]-3-pyridin-4-ylchromen-2-one is CN(C)CCCOc1ccc2cc(-c3ccncc3)c(=O)oc2c1.
What is the InChIKey of 7-[3-(dimethylamino)propoxy]-3-pyridin-4-ylchromen-2-one?
The InChIKey is GIUKXARTXPBEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-21(2)10-3-11-23-16-5-4-15-12-17(14-6-8-20-9-7-14)19(22)24-18(15)13-16/h4-9,12-13H,3,10-11H2,1-2H3.
What are the key properties of 7-[3-(dimethylamino)propoxy]-3-pyridin-4-ylchromen-2-one?
7-[3-(dimethylamino)propoxy]-3-pyridin-4-ylchromen-2-one has a molecular weight of 324.38 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(dimethylamino)propoxy]-3-pyridin-4-ylchromen-2-one is sourced from PubChem (CID 23618487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).