3-(furan-2-carbonyl)-2-pyridin-2-yl-2,3-dihydrochromen-4-one

C19H13NO4 — CID 163359898

IUPAC3-(furan-2-carbonyl)-2-pyridin-2-yl-2,3-dihydrochromen-4-one
SMILESO=C(c1ccco1)C1C(=O)c2ccccc2OC1c1ccccn1
InChIInChI=1S/C19H13NO4/c21-17-12-6-1-2-8-14(12)24-19(13-7-3-4-10-20-13)16(17)18(22)15-9-5-11-23-15/h1-11,16,19H
InChIKeyQRMPMDDQBVDPIV-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.49
Rot. Bonds3

About 3-(furan-2-carbonyl)-2-pyridin-2-yl-2,3-dihydrochromen-4-one

3-(furan-2-carbonyl)-2-pyridin-2-yl-2,3-dihydrochromen-4-one (PubChem CID 163359898) has the molecular formula C19H13NO4 and a molecular weight of 319.32 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-2-pyridin-2-yl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-2-pyridin-2-yl-2,3-dihydrochromen-4-one
PubChem CID163359898
Molecular FormulaC19H13NO4
Molecular Weight319.32 g/mol
Exact Mass319.08
IUPAC Name3-(furan-2-carbonyl)-2-pyridin-2-yl-2,3-dihydrochromen-4-one
SMILESO=C(c1ccco1)C1C(=O)c2ccccc2OC1c1ccccn1
InChIInChI=1S/C19H13NO4/c21-17-12-6-1-2-8-14(12)24-19(13-7-3-4-10-20-13)16(17)18(22)15-9-5-11-23-15/h1-11,16,19H
InChIKeyQRMPMDDQBVDPIV-UHFFFAOYSA-N
XLogP3.49
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-2-pyridin-2-yl-2,3-dihydrochromen-4-one?
The IUPAC name of 3-(furan-2-carbonyl)-2-pyridin-2-yl-2,3-dihydrochromen-4-one (CID 163359898) is 3-(furan-2-carbonyl)-2-pyridin-2-yl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-2-pyridin-2-yl-2,3-dihydrochromen-4-one?
The canonical SMILES for 3-(furan-2-carbonyl)-2-pyridin-2-yl-2,3-dihydrochromen-4-one is O=C(c1ccco1)C1C(=O)c2ccccc2OC1c1ccccn1.
What is the InChIKey of 3-(furan-2-carbonyl)-2-pyridin-2-yl-2,3-dihydrochromen-4-one?
The InChIKey is QRMPMDDQBVDPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO4/c21-17-12-6-1-2-8-14(12)24-19(13-7-3-4-10-20-13)16(17)18(22)15-9-5-11-23-15/h1-11,16,19H.
What are the key properties of 3-(furan-2-carbonyl)-2-pyridin-2-yl-2,3-dihydrochromen-4-one?
3-(furan-2-carbonyl)-2-pyridin-2-yl-2,3-dihydrochromen-4-one has a molecular weight of 319.32 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-2-pyridin-2-yl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 163359898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).