12-[3-(4-methoxyphenyl)-2-oxopyrano[3,2-c]pyridin-7-yl]oxydodecyl prop-2-enoate

C30H37NO6 — CID 162356742

IUPAC12-[3-(4-methoxyphenyl)-2-oxopyrano[3,2-c]pyridin-7-yl]oxydodecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCCCCOc1cc2oc(=O)c(-c3ccc(OC)cc3)cc2cn1
InChIInChI=1S/C30H37NO6/c1-3-29(32)36-19-13-11-9-7-5-4-6-8-10-12-18-35-28-21-27-24(22-31-28)20-26(30(33)37-27)23-14-16-25(34-2)17-15-23/h3,14-17,20-22H,1,4-13,18-19H2,2H3
InChIKeyHZEGEJUTVLUKRB-UHFFFAOYSA-N
MW507.63 g/mol
LogP6.87
Rot. Bonds17

About 12-[3-(4-methoxyphenyl)-2-oxopyrano[3,2-c]pyridin-7-yl]oxydodecyl prop-2-enoate

12-[3-(4-methoxyphenyl)-2-oxopyrano[3,2-c]pyridin-7-yl]oxydodecyl prop-2-enoate (PubChem CID 162356742) has the molecular formula C30H37NO6 and a molecular weight of 507.63 g/mol. Its IUPAC name is 12-[3-(4-methoxyphenyl)-2-oxopyrano[3,2-c]pyridin-7-yl]oxydodecyl prop-2-enoate.

Molecular Properties

Compound Name12-[3-(4-methoxyphenyl)-2-oxopyrano[3,2-c]pyridin-7-yl]oxydodecyl prop-2-enoate
PubChem CID162356742
Molecular FormulaC30H37NO6
Molecular Weight507.63 g/mol
Exact Mass507.26
IUPAC Name12-[3-(4-methoxyphenyl)-2-oxopyrano[3,2-c]pyridin-7-yl]oxydodecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCCCCOc1cc2oc(=O)c(-c3ccc(OC)cc3)cc2cn1
InChIInChI=1S/C30H37NO6/c1-3-29(32)36-19-13-11-9-7-5-4-6-8-10-12-18-35-28-21-27-24(22-31-28)20-26(30(33)37-27)23-14-16-25(34-2)17-15-23/h3,14-17,20-22H,1,4-13,18-19H2,2H3
InChIKeyHZEGEJUTVLUKRB-UHFFFAOYSA-N
XLogP6.87
TPSA87.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.63
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

12-[3-(4-methoxyphenyl)-2-oxopyrano[3,2-c]pyridin-7-yl]oxydodecyl 2-methylbutanoate
CID 162356886
12-[4-(2-oxopyrano[2,3-b]pyridin-3-yl)phenoxy]dodecyl prop-2-enoate
CID 162356975
ethane;[(E)-8-(2-oxo-3-phenylchromen-7-yl)oxyoct-4-enyl] prop-2-enoate
CID 145263388
11-[2-oxo-3-[2-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridin-6-yl]oxyundecyl prop-2-enoate
CID 162356875
11-[2-oxo-3-[4-(trifluoromethyl)phenyl]pyrano[2,3-b]pyridin-7-yl]oxyundecyl prop-2-enoate
CID 162356849
10-[2-oxo-3-[2-(trifluoromethyl)phenyl]pyrano[3,2-c]pyridin-7-yl]oxydecyl 2-methylpropanoate
CID 168824222
12-[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxydodecyl prop-2-enoate
CID 162487863
11-[4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxy]phenyl]phenyl]phenoxy]undecyl prop-2-enoate
CID 20734011
2-[4-(4-methoxyphenyl)phenoxy]ethyl prop-2-enoate
CID 59181081
9-[2-oxo-3-[4-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridin-6-yl]oxynonyl 2-methylbutanoate
CID 162356962
6-[4-[3-methyl-4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]phenyl]phenoxy]hexyl prop-2-enoate
CID 59459924
7-(12-butan-2-yloxydodecoxy)-3-thiophen-3-ylpyrano[3,2-c]pyridin-2-one
CID 162357076

Frequently Asked Questions

What is the IUPAC name of 12-[3-(4-methoxyphenyl)-2-oxopyrano[3,2-c]pyridin-7-yl]oxydodecyl prop-2-enoate?
The IUPAC name of 12-[3-(4-methoxyphenyl)-2-oxopyrano[3,2-c]pyridin-7-yl]oxydodecyl prop-2-enoate (CID 162356742) is 12-[3-(4-methoxyphenyl)-2-oxopyrano[3,2-c]pyridin-7-yl]oxydodecyl prop-2-enoate.
What is the SMILES notation for 12-[3-(4-methoxyphenyl)-2-oxopyrano[3,2-c]pyridin-7-yl]oxydodecyl prop-2-enoate?
The canonical SMILES for 12-[3-(4-methoxyphenyl)-2-oxopyrano[3,2-c]pyridin-7-yl]oxydodecyl prop-2-enoate is C=CC(=O)OCCCCCCCCCCCCOc1cc2oc(=O)c(-c3ccc(OC)cc3)cc2cn1.
What is the InChIKey of 12-[3-(4-methoxyphenyl)-2-oxopyrano[3,2-c]pyridin-7-yl]oxydodecyl prop-2-enoate?
The InChIKey is HZEGEJUTVLUKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37NO6/c1-3-29(32)36-19-13-11-9-7-5-4-6-8-10-12-18-35-28-21-27-24(22-31-28)20-26(30(33)37-27)23-14-16-25(34-2)17-15-23/h3,14-17,20-22H,1,4-13,18-19H2,2H3.
What are the key properties of 12-[3-(4-methoxyphenyl)-2-oxopyrano[3,2-c]pyridin-7-yl]oxydodecyl prop-2-enoate?
12-[3-(4-methoxyphenyl)-2-oxopyrano[3,2-c]pyridin-7-yl]oxydodecyl prop-2-enoate has a molecular weight of 507.63 g/mol, XLogP of 6.87, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-(4-methoxyphenyl)-2-oxopyrano[3,2-c]pyridin-7-yl]oxydodecyl prop-2-enoate is sourced from PubChem (CID 162356742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).