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

C20H18N2O5 — CID 10570898

IUPAC8-methoxy-3-[(4-nitrophenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
SMILESCOc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc([N+](=O)[O-])cc1)CC3
InChIInChI=1S/C20H18N2O5/c1-26-15-6-7-17-16-8-9-21(12-18(16)20(23)27-19(17)10-15)11-13-2-4-14(5-3-13)22(24)25/h2-7,10H,8-9,11-12H2,1H3
InChIKeyHHRUJJWXMZRWIG-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.27
Rot. Bonds4

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

8-methoxy-3-[(4-nitrophenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one (PubChem CID 10570898) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is 8-methoxy-3-[(4-nitrophenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one.

Molecular Properties

Compound Name8-methoxy-3-[(4-nitrophenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
PubChem CID10570898
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name8-methoxy-3-[(4-nitrophenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
SMILESCOc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc([N+](=O)[O-])cc1)CC3
InChIInChI=1S/C20H18N2O5/c1-26-15-6-7-17-16-8-9-21(12-18(16)20(23)27-19(17)10-15)11-13-2-4-14(5-3-13)22(24)25/h2-7,10H,8-9,11-12H2,1H3
InChIKeyHHRUJJWXMZRWIG-UHFFFAOYSA-N
XLogP3.27
TPSA85.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-7-[3-(4-phenyl-piperazin-1-yl)-propoxy]-chromen-2-one
CID 10317514
3,4-Dimethyl-7-[(4-nitrophenyl)methoxy]chromen-2-one
CID 939812
3-Benzyl-8-methoxy-1,2,3,4-tetrahydro-chromeno[3,4-c]pyridin-5-one
CID 9883587
3,4-Dimethyl-7-[3-(4-phenyl-piperazin-1-yl)-propoxy]-chromen-2-one
CID 10340492
8-Methoxy-3-(4-methyl-benzyl)-1,2,3,4-tetrahydro-chromeno[3,4-c]pyridin-5-one
CID 10640530
8-Methoxy-3-(4-methoxy-benzyl)-1,2,3,4-tetrahydro-chromeno[3,4-c]pyridin-5-one
CID 10689266
4-Methyl-3-(3-nitrobenzyl)-2-oxo-2h-chromen-7-yl dimethylcarbamate
CID 59139251
4-Methyl-7-[(3-nitrophenyl)methoxy]chromen-2-one
CID 894515
3-(4-Nitro-benzyloxy)-7,8,9,10-tetrahydro-benzo[c]chromen-6-one
CID 997475
Ethyl 3-[4-methyl-7-[(4-nitrophenyl)methoxy]-2-oxochromen-3-yl]propanoate
CID 1295508
7-Methoxy-4-((methyl(phenyl)amino)methyl)-2H-chromen-2-one
CID 2697490
4-Amyl-8-[1-[4-(dimethylamino)phenyl]-3-(3-methylpiperidino)propyl]-5,7-dimethoxy-coumarin
CID 16746392

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-[(4-nitrophenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The IUPAC name of 8-methoxy-3-[(4-nitrophenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one (CID 10570898) is 8-methoxy-3-[(4-nitrophenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one.
What is the SMILES notation for 8-methoxy-3-[(4-nitrophenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The canonical SMILES for 8-methoxy-3-[(4-nitrophenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one is COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc([N+](=O)[O-])cc1)CC3.
What is the InChIKey of 8-methoxy-3-[(4-nitrophenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The InChIKey is HHRUJJWXMZRWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-26-15-6-7-17-16-8-9-21(12-18(16)20(23)27-19(17)10-15)11-13-2-4-14(5-3-13)22(24)25/h2-7,10H,8-9,11-12H2,1H3.
What are the key properties of 8-methoxy-3-[(4-nitrophenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
8-methoxy-3-[(4-nitrophenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one has a molecular weight of 366.37 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-[(4-nitrophenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one is sourced from PubChem (CID 10570898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).