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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Related Compounds

(3E)-3-((2,4-Dimethoxyphenyl)methylene)-3,4,5,6-tetrahydro-2,3'-bipyridine
CID 5310985
7-[[1-[(2-Bromophenyl)methyl]pyridin-1-ium-4-yl]methoxy]-4-methylchromen-2-one bromide
CID 145963788
1-[3-(4-Methyl-2-oxo-2H-chromen-7-yloxy)-propyl]-pyridinium
CID 16682426
N-[(2,4-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid
CID 23724238
(2,4-Dimethoxy-benzyl)-pyridin-4-ylmethyl-amine hydrochloride
CID 24746804
2-[(2R)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 2-pyridin-4-ylethyl carbonate
CID 137640230
3-{Methyl-[3-(4-pyridin-3-ylmethyl-phenoxy)-propyl]-amino}-propionic acid methyl ester
CID 11078398
3-(2,4,6-Trimethoxybenzylidene)anabaseine
CID 11595246
3-(2,4-Dimethoxybenzyl)-3,4,5,6-tetrahydro-2,3'-bipyridine
CID 46907472
(2R)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-3-phenylpropan-2-amine
CID 71728303
Ebov/marv-IN-2
CID 162516407
3,4-Dimethyl-7-(pyridin-2-ylmethoxy)-chromen-2-one
CID 15066881

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).