8-methoxy-3-(pyridin-4-ylmethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one

C19H18N2O3 — CID 10567839

IUPAC8-methoxy-3-(pyridin-4-ylmethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
SMILESCOc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccncc1)CC3
InChIInChI=1S/C19H18N2O3/c1-23-14-2-3-16-15-6-9-21(11-13-4-7-20-8-5-13)12-17(15)19(22)24-18(16)10-14/h2-5,7-8,10H,6,9,11-12H2,1H3
InChIKeyLRQWWKKYRRTJBN-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.75
Rot. Bonds3

About 8-methoxy-3-(pyridin-4-ylmethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one

8-methoxy-3-(pyridin-4-ylmethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one (PubChem CID 10567839) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 8-methoxy-3-(pyridin-4-ylmethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one.

Molecular Properties

Compound Name8-methoxy-3-(pyridin-4-ylmethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
PubChem CID10567839
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name8-methoxy-3-(pyridin-4-ylmethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
SMILESCOc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccncc1)CC3
InChIInChI=1S/C19H18N2O3/c1-23-14-2-3-16-15-6-9-21(11-13-4-7-20-8-5-13)12-17(15)19(22)24-18(16)10-14/h2-5,7-8,10H,6,9,11-12H2,1H3
InChIKeyLRQWWKKYRRTJBN-UHFFFAOYSA-N
XLogP2.75
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-(pyridin-4-ylmethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The IUPAC name of 8-methoxy-3-(pyridin-4-ylmethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one (CID 10567839) is 8-methoxy-3-(pyridin-4-ylmethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one.
What is the SMILES notation for 8-methoxy-3-(pyridin-4-ylmethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The canonical SMILES for 8-methoxy-3-(pyridin-4-ylmethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one is COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccncc1)CC3.
What is the InChIKey of 8-methoxy-3-(pyridin-4-ylmethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The InChIKey is LRQWWKKYRRTJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-23-14-2-3-16-15-6-9-21(11-13-4-7-20-8-5-13)12-17(15)19(22)24-18(16)10-14/h2-5,7-8,10H,6,9,11-12H2,1H3.
What are the key properties of 8-methoxy-3-(pyridin-4-ylmethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
8-methoxy-3-(pyridin-4-ylmethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one has a molecular weight of 322.36 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-(pyridin-4-ylmethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one is sourced from PubChem (CID 10567839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).