2-(3-formylphenyl)-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromene-5-carbaldehyde

C24H21NO5 — CID 91376136

IUPAC2-(3-formylphenyl)-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromene-5-carbaldehyde
SMILESCOc1cc(C=O)c2c(=O)cc(-c3cccc(C=O)c3)oc2c1C1=CCN(C)CC1
InChIInChI=1S/C24H21NO5/c1-25-8-6-16(7-9-25)23-21(29-2)11-18(14-27)22-19(28)12-20(30-24(22)23)17-5-3-4-15(10-17)13-26/h3-6,10-14H,7-9H2,1-2H3
InChIKeyPNZJPOOQYDKGQI-UHFFFAOYSA-N
MW403.43 g/mol
LogP3.81
Rot. Bonds5

About 2-(3-formylphenyl)-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromene-5-carbaldehyde

2-(3-formylphenyl)-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromene-5-carbaldehyde (PubChem CID 91376136) has the molecular formula C24H21NO5 and a molecular weight of 403.43 g/mol. Its IUPAC name is 2-(3-formylphenyl)-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromene-5-carbaldehyde.

Molecular Properties

Compound Name2-(3-formylphenyl)-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromene-5-carbaldehyde
PubChem CID91376136
Molecular FormulaC24H21NO5
Molecular Weight403.43 g/mol
Exact Mass403.14
IUPAC Name2-(3-formylphenyl)-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromene-5-carbaldehyde
SMILESCOc1cc(C=O)c2c(=O)cc(-c3cccc(C=O)c3)oc2c1C1=CCN(C)CC1
InChIInChI=1S/C24H21NO5/c1-25-8-6-16(7-9-25)23-21(29-2)11-18(14-27)22-19(28)12-20(30-24(22)23)17-5-3-4-15(10-17)13-26/h3-6,10-14H,7-9H2,1-2H3
InChIKeyPNZJPOOQYDKGQI-UHFFFAOYSA-N
XLogP3.81
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromophenyl)-5,7-dimethoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)chromen-4-one
CID 102005380
(2Z)-2-[(2-fluorophenyl)methylidene]-4,6-dimethoxy-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-benzofuran-3-one
CID 145361830
3-(1,3,5,6-tetramethoxy-9-oxoxanthen-4-yl)benzaldehyde
CID 73353968
2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[4-[5-hydroxy-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromen-2-yl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione
CID 168510267
3-[8-[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5,7-dimethoxy-4-oxochromen-2-yl]-1-phenyl-4H-quinoline-4-carbaldehyde
CID 174475071
6-[4-[5,7-dihydroxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromen-2-yl]phenyl]sulfanylpyridine-3-carboxylic acid
CID 162670942
5,7-dimethoxy-2-phenyl-8-thiophen-3-ylchromen-4-one
CID 57410655
3,5-dimethoxy-4-(3-methylphenyl)benzaldehyde
CID 87212227
2-(3,4-difluorophenyl)-5,7-dimethoxy-8-(2-methylpyrazol-3-yl)chromen-4-one
CID 71559443
4-oxo-2-phenylchromene-8-carbaldehyde
CID 13233926
5-hydroxy-6,7-dimethoxy-2-[3-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one
CID 142727332
3-(3-hydroxy-4-methoxyphenyl)benzaldehyde
CID 53220736

Frequently Asked Questions

What is the IUPAC name of 2-(3-formylphenyl)-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromene-5-carbaldehyde?
The IUPAC name of 2-(3-formylphenyl)-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromene-5-carbaldehyde (CID 91376136) is 2-(3-formylphenyl)-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromene-5-carbaldehyde.
What is the SMILES notation for 2-(3-formylphenyl)-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromene-5-carbaldehyde?
The canonical SMILES for 2-(3-formylphenyl)-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromene-5-carbaldehyde is COc1cc(C=O)c2c(=O)cc(-c3cccc(C=O)c3)oc2c1C1=CCN(C)CC1.
What is the InChIKey of 2-(3-formylphenyl)-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromene-5-carbaldehyde?
The InChIKey is PNZJPOOQYDKGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO5/c1-25-8-6-16(7-9-25)23-21(29-2)11-18(14-27)22-19(28)12-20(30-24(22)23)17-5-3-4-15(10-17)13-26/h3-6,10-14H,7-9H2,1-2H3.
What are the key properties of 2-(3-formylphenyl)-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromene-5-carbaldehyde?
2-(3-formylphenyl)-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromene-5-carbaldehyde has a molecular weight of 403.43 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formylphenyl)-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromene-5-carbaldehyde is sourced from PubChem (CID 91376136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).