ethyl 4-[(10-methoxy-2,2,4-trimethyl-1-prop-2-enyl-5H-chromeno[3,4-f]quinolin-9-yl)oxy]butanoate

C29H35NO5 — CID 90685528

IUPACethyl 4-[(10-methoxy-2,2,4-trimethyl-1-prop-2-enyl-5H-chromeno[3,4-f]quinolin-9-yl)oxy]butanoate
SMILESC=CCN1c2ccc3c(c2C(C)=CC1(C)C)COc1ccc(OCCCC(=O)OCC)c(OC)c1-3
InChIInChI=1S/C29H35NO5/c1-7-15-30-22-12-11-20-21(26(22)19(3)17-29(30,4)5)18-35-23-13-14-24(28(32-6)27(20)23)34-16-9-10-25(31)33-8-2/h7,11-14,17H,1,8-10,15-16,18H2,2-6H3
InChIKeyQGPOHDDSRNIYJZ-UHFFFAOYSA-N
MW477.60 g/mol
LogP6.16
Rot. Bonds9

About ethyl 4-[(10-methoxy-2,2,4-trimethyl-1-prop-2-enyl-5H-chromeno[3,4-f]quinolin-9-yl)oxy]butanoate

ethyl 4-[(10-methoxy-2,2,4-trimethyl-1-prop-2-enyl-5H-chromeno[3,4-f]quinolin-9-yl)oxy]butanoate (PubChem CID 90685528) has the molecular formula C29H35NO5 and a molecular weight of 477.60 g/mol. Its IUPAC name is ethyl 4-[(10-methoxy-2,2,4-trimethyl-1-prop-2-enyl-5H-chromeno[3,4-f]quinolin-9-yl)oxy]butanoate.

Molecular Properties

Compound Nameethyl 4-[(10-methoxy-2,2,4-trimethyl-1-prop-2-enyl-5H-chromeno[3,4-f]quinolin-9-yl)oxy]butanoate
PubChem CID90685528
Molecular FormulaC29H35NO5
Molecular Weight477.60 g/mol
Exact Mass477.25
IUPAC Nameethyl 4-[(10-methoxy-2,2,4-trimethyl-1-prop-2-enyl-5H-chromeno[3,4-f]quinolin-9-yl)oxy]butanoate
SMILESC=CCN1c2ccc3c(c2C(C)=CC1(C)C)COc1ccc(OCCCC(=O)OCC)c(OC)c1-3
InChIInChI=1S/C29H35NO5/c1-7-15-30-22-12-11-20-21(26(22)19(3)17-29(30,4)5)18-35-23-13-14-24(28(32-6)27(20)23)34-16-9-10-25(31)33-8-2/h7,11-14,17H,1,8-10,15-16,18H2,2-6H3
InChIKeyQGPOHDDSRNIYJZ-UHFFFAOYSA-N
XLogP6.16
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.60
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 4-[(10-methoxy-2,2,4-trimethyl-1-prop-2-enyl-5H-chromeno[3,4-f]quinolin-9-yl)oxy]butanoate with MolForge

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Related Compounds

(10-methoxy-2,2,4-trimethyl-1-prop-2-enyl-5H-chromeno[3,4-f]quinolin-9-yl) 3-acetamidopropanoate
CID 90805615
ethyl 4-(5,7-dimethoxy-2,2,4-trimethylquinolin-1-yl)butanoate
CID 122595730
(10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinolin-9-yl) butanoate
CID 68944683
ethyl 4-(4-butanoyl-2-methoxyphenoxy)butanoate
CID 68799318
ethyl 4-(2-formyl-5-methoxyphenoxy)butanoate
CID 146282312
ethyl 4-(4-acetyl-2,6-dimethoxyphenoxy)butanoate
CID 86752782
methyl 4-(4-ethoxy-4-oxobutoxy)-3-methoxybenzoate
CID 164672797
ethyl 4-(2,3-dimethoxy-5-nitrophenoxy)butanoate
CID 59442402
ethyl 4-(4,5-dicyano-2-methoxyphenoxy)butanoate
CID 100997472
ethyl 4-[7-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2,2,4-trimethylquinolin-1-yl]butanoate
CID 90327239
ethyl 4-[2-methoxy-6-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]butanoate
CID 168575623
ethane;ethyl 2-(2,3,4-trimethoxyphenoxy)acetate
CID 144536056

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(10-methoxy-2,2,4-trimethyl-1-prop-2-enyl-5H-chromeno[3,4-f]quinolin-9-yl)oxy]butanoate?
The IUPAC name of ethyl 4-[(10-methoxy-2,2,4-trimethyl-1-prop-2-enyl-5H-chromeno[3,4-f]quinolin-9-yl)oxy]butanoate (CID 90685528) is ethyl 4-[(10-methoxy-2,2,4-trimethyl-1-prop-2-enyl-5H-chromeno[3,4-f]quinolin-9-yl)oxy]butanoate.
What is the SMILES notation for ethyl 4-[(10-methoxy-2,2,4-trimethyl-1-prop-2-enyl-5H-chromeno[3,4-f]quinolin-9-yl)oxy]butanoate?
The canonical SMILES for ethyl 4-[(10-methoxy-2,2,4-trimethyl-1-prop-2-enyl-5H-chromeno[3,4-f]quinolin-9-yl)oxy]butanoate is C=CCN1c2ccc3c(c2C(C)=CC1(C)C)COc1ccc(OCCCC(=O)OCC)c(OC)c1-3.
What is the InChIKey of ethyl 4-[(10-methoxy-2,2,4-trimethyl-1-prop-2-enyl-5H-chromeno[3,4-f]quinolin-9-yl)oxy]butanoate?
The InChIKey is QGPOHDDSRNIYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO5/c1-7-15-30-22-12-11-20-21(26(22)19(3)17-29(30,4)5)18-35-23-13-14-24(28(32-6)27(20)23)34-16-9-10-25(31)33-8-2/h7,11-14,17H,1,8-10,15-16,18H2,2-6H3.
What are the key properties of ethyl 4-[(10-methoxy-2,2,4-trimethyl-1-prop-2-enyl-5H-chromeno[3,4-f]quinolin-9-yl)oxy]butanoate?
ethyl 4-[(10-methoxy-2,2,4-trimethyl-1-prop-2-enyl-5H-chromeno[3,4-f]quinolin-9-yl)oxy]butanoate has a molecular weight of 477.60 g/mol, XLogP of 6.16, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(10-methoxy-2,2,4-trimethyl-1-prop-2-enyl-5H-chromeno[3,4-f]quinolin-9-yl)oxy]butanoate is sourced from PubChem (CID 90685528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).