7-[3-(2-methylphenyl)-2-oxopyrano[2,3-c]pyridin-6-yl]oxyheptyl 2-methylprop-2-enoate

C26H29NO5 — CID 162356805

IUPAC7-[3-(2-methylphenyl)-2-oxopyrano[2,3-c]pyridin-6-yl]oxyheptyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCOc1cc2cc(-c3ccccc3C)c(=O)oc2cn1
InChIInChI=1S/C26H29NO5/c1-18(2)25(28)31-14-10-6-4-5-9-13-30-24-16-20-15-22(21-12-8-7-11-19(21)3)26(29)32-23(20)17-27-24/h7-8,11-12,15-17H,1,4-6,9-10,13-14H2,2-3H3
InChIKeyRNFLKYUHJSUZPN-UHFFFAOYSA-N
MW435.52 g/mol
LogP5.61
Rot. Bonds11

About 7-[3-(2-methylphenyl)-2-oxopyrano[2,3-c]pyridin-6-yl]oxyheptyl 2-methylprop-2-enoate

7-[3-(2-methylphenyl)-2-oxopyrano[2,3-c]pyridin-6-yl]oxyheptyl 2-methylprop-2-enoate (PubChem CID 162356805) has the molecular formula C26H29NO5 and a molecular weight of 435.52 g/mol. Its IUPAC name is 7-[3-(2-methylphenyl)-2-oxopyrano[2,3-c]pyridin-6-yl]oxyheptyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name7-[3-(2-methylphenyl)-2-oxopyrano[2,3-c]pyridin-6-yl]oxyheptyl 2-methylprop-2-enoate
PubChem CID162356805
Molecular FormulaC26H29NO5
Molecular Weight435.52 g/mol
Exact Mass435.20
IUPAC Name7-[3-(2-methylphenyl)-2-oxopyrano[2,3-c]pyridin-6-yl]oxyheptyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCOc1cc2cc(-c3ccccc3C)c(=O)oc2cn1
InChIInChI=1S/C26H29NO5/c1-18(2)25(28)31-14-10-6-4-5-9-13-30-24-16-20-15-22(21-12-8-7-11-19(21)3)26(29)32-23(20)17-27-24/h7-8,11-12,15-17H,1,4-6,9-10,13-14H2,2-3H3
InChIKeyRNFLKYUHJSUZPN-UHFFFAOYSA-N
XLogP5.61
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.52
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-[3-(2-methylphenyl)-2-oxopyrano[2,3-c]pyridin-6-yl]oxyheptyl 2-methylprop-2-enoate with MolForge

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Related Compounds

11-[2-oxo-3-[2-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridin-6-yl]oxyundecyl prop-2-enoate
CID 162356875
11-[2,5-dimethyl-4-(2-oxopyrano[3,2-c]pyridin-3-yl)phenoxy]undecyl 2-methylprop-2-enoate
CID 162356996
10-[2-oxo-3-[2-(trifluoromethyl)phenyl]pyrano[3,2-c]pyridin-7-yl]oxydecyl 2-methylpropanoate
CID 168824222
12-[3-(4-cyanophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]oxydodecyl 2-methylprop-2-enoate
CID 162357111
9-[2-oxo-3-[4-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridin-6-yl]oxynonyl 2-methylbutanoate
CID 162356962
9-[2-oxo-3-[3-(trifluoromethylsulfanyl)phenyl]pyrano[2,3-c]pyridin-6-yl]oxynonyl 2,2-dimethylbutanoate
CID 162357057
[6-[1,3-bis[[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy]propan-2-yloxy]-5-hydroxyhexyl] 2-methylprop-2-enoate
CID 146412134
8-naphthalen-2-yloxyoctyl 2-methylprop-2-enoate
CID 67166599
12-[3-(4-methoxyphenyl)-2-oxopyrano[3,2-c]pyridin-7-yl]oxydodecyl prop-2-enoate
CID 162356742
4-[5-[4-(2-methylprop-2-enoyloxy)butyl]-2-oxo-3-phenylchromen-7-yl]butyl 2-methylprop-2-enoate
CID 139472332
11-[2,5-dimethyl-4-(2-oxopyrano[3,2-c]pyridin-3-yl)phenoxy]undecyl 2-methylpropanoate
CID 168824160
4-[7-[4-(2-methylprop-2-enoyloxy)butyl]-3-[4-(2-methylprop-2-enoyloxy)cyclohexa-1,3-dien-1-yl]-2-oxochromen-6-yl]butyl 2-methylprop-2-enoate
CID 147218864

Frequently Asked Questions

What is the IUPAC name of 7-[3-(2-methylphenyl)-2-oxopyrano[2,3-c]pyridin-6-yl]oxyheptyl 2-methylprop-2-enoate?
The IUPAC name of 7-[3-(2-methylphenyl)-2-oxopyrano[2,3-c]pyridin-6-yl]oxyheptyl 2-methylprop-2-enoate (CID 162356805) is 7-[3-(2-methylphenyl)-2-oxopyrano[2,3-c]pyridin-6-yl]oxyheptyl 2-methylprop-2-enoate.
What is the SMILES notation for 7-[3-(2-methylphenyl)-2-oxopyrano[2,3-c]pyridin-6-yl]oxyheptyl 2-methylprop-2-enoate?
The canonical SMILES for 7-[3-(2-methylphenyl)-2-oxopyrano[2,3-c]pyridin-6-yl]oxyheptyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCOc1cc2cc(-c3ccccc3C)c(=O)oc2cn1.
What is the InChIKey of 7-[3-(2-methylphenyl)-2-oxopyrano[2,3-c]pyridin-6-yl]oxyheptyl 2-methylprop-2-enoate?
The InChIKey is RNFLKYUHJSUZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO5/c1-18(2)25(28)31-14-10-6-4-5-9-13-30-24-16-20-15-22(21-12-8-7-11-19(21)3)26(29)32-23(20)17-27-24/h7-8,11-12,15-17H,1,4-6,9-10,13-14H2,2-3H3.
What are the key properties of 7-[3-(2-methylphenyl)-2-oxopyrano[2,3-c]pyridin-6-yl]oxyheptyl 2-methylprop-2-enoate?
7-[3-(2-methylphenyl)-2-oxopyrano[2,3-c]pyridin-6-yl]oxyheptyl 2-methylprop-2-enoate has a molecular weight of 435.52 g/mol, XLogP of 5.61, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(2-methylphenyl)-2-oxopyrano[2,3-c]pyridin-6-yl]oxyheptyl 2-methylprop-2-enoate is sourced from PubChem (CID 162356805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).