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

C23H20N2O3 — CID 19085798

IUPAC8-methoxy-3-(quinolin-4-ylmethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
SMILESCOc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccnc2ccccc12)CC3
InChIInChI=1S/C23H20N2O3/c1-27-16-6-7-19-18-9-11-25(14-20(18)23(26)28-22(19)12-16)13-15-8-10-24-21-5-3-2-4-17(15)21/h2-8,10,12H,9,11,13-14H2,1H3
InChIKeySKUBBPMSMRDTPD-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.91
Rot. Bonds3

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

8-methoxy-3-(quinolin-4-ylmethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one (PubChem CID 19085798) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 8-methoxy-3-(quinolin-4-ylmethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one.

Molecular Properties

Compound Name8-methoxy-3-(quinolin-4-ylmethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
PubChem CID19085798
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name8-methoxy-3-(quinolin-4-ylmethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
SMILESCOc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccnc2ccccc12)CC3
InChIInChI=1S/C23H20N2O3/c1-27-16-6-7-19-18-9-11-25(14-20(18)23(26)28-22(19)12-16)13-15-8-10-24-21-5-3-2-4-17(15)21/h2-8,10,12H,9,11,13-14H2,1H3
InChIKeySKUBBPMSMRDTPD-UHFFFAOYSA-N
XLogP3.91
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.91
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-(quinolin-4-ylmethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The IUPAC name of 8-methoxy-3-(quinolin-4-ylmethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one (CID 19085798) is 8-methoxy-3-(quinolin-4-ylmethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one.
What is the SMILES notation for 8-methoxy-3-(quinolin-4-ylmethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The canonical SMILES for 8-methoxy-3-(quinolin-4-ylmethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one is COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccnc2ccccc12)CC3.
What is the InChIKey of 8-methoxy-3-(quinolin-4-ylmethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The InChIKey is SKUBBPMSMRDTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-27-16-6-7-19-18-9-11-25(14-20(18)23(26)28-22(19)12-16)13-15-8-10-24-21-5-3-2-4-17(15)21/h2-8,10,12H,9,11,13-14H2,1H3.
What are the key properties of 8-methoxy-3-(quinolin-4-ylmethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
8-methoxy-3-(quinolin-4-ylmethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one has a molecular weight of 372.42 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-(quinolin-4-ylmethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one is sourced from PubChem (CID 19085798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).