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

C28H32N2O5 — CID 90805615

IUPAC(10-methoxy-2,2,4-trimethyl-1-prop-2-enyl-5H-chromeno[3,4-f]quinolin-9-yl) 3-acetamidopropanoate
SMILESC=CCN1c2ccc3c(c2C(C)=CC1(C)C)COc1ccc(OC(=O)CCNC(C)=O)c(OC)c1-3
InChIInChI=1S/C28H32N2O5/c1-7-14-30-21-9-8-19-20(25(21)17(2)15-28(30,4)5)16-34-22-10-11-23(27(33-6)26(19)22)35-24(32)12-13-29-18(3)31/h7-11,15H,1,12-14,16H2,2-6H3,(H,29,31)
InChIKeyIQFFESQQOPJPFR-UHFFFAOYSA-N
MW476.57 g/mol
LogP4.87
Rot. Bonds7

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

(10-methoxy-2,2,4-trimethyl-1-prop-2-enyl-5H-chromeno[3,4-f]quinolin-9-yl) 3-acetamidopropanoate (PubChem CID 90805615) has the molecular formula C28H32N2O5 and a molecular weight of 476.57 g/mol. Its IUPAC name is (10-methoxy-2,2,4-trimethyl-1-prop-2-enyl-5H-chromeno[3,4-f]quinolin-9-yl) 3-acetamidopropanoate.

Molecular Properties

Compound Name(10-methoxy-2,2,4-trimethyl-1-prop-2-enyl-5H-chromeno[3,4-f]quinolin-9-yl) 3-acetamidopropanoate
PubChem CID90805615
Molecular FormulaC28H32N2O5
Molecular Weight476.57 g/mol
Exact Mass476.23
IUPAC Name(10-methoxy-2,2,4-trimethyl-1-prop-2-enyl-5H-chromeno[3,4-f]quinolin-9-yl) 3-acetamidopropanoate
SMILESC=CCN1c2ccc3c(c2C(C)=CC1(C)C)COc1ccc(OC(=O)CCNC(C)=O)c(OC)c1-3
InChIInChI=1S/C28H32N2O5/c1-7-14-30-21-9-8-19-20(25(21)17(2)15-28(30,4)5)16-34-22-10-11-23(27(33-6)26(19)22)35-24(32)12-13-29-18(3)31/h7-11,15H,1,12-14,16H2,2-6H3,(H,29,31)
InChIKeyIQFFESQQOPJPFR-UHFFFAOYSA-N
XLogP4.87
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

ethyl 4-[(10-methoxy-2,2,4-trimethyl-1-prop-2-enyl-5H-chromeno[3,4-f]quinolin-9-yl)oxy]butanoate
CID 90685528
(10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinolin-9-yl) butanoate
CID 68944683
N-[2-(3,4,7,8,10-pentamethoxy-9,10-dihydrophenanthren-1-yl)ethyl]acetamide
CID 102376154
5-cyclohex-3-en-1-yl-1,9,10-trimethoxy-2,2,4-trimethyl-5H-chromeno[3,4-f]quinoline
CID 68946453
methyl 10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline-9-carboxylate
CID 11069511
N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-3,4-dimethoxybenzamide
CID 40887498
phenyl 3-acetamidopropanoate
CID 13317977
5-chloro-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-2-methoxybenzamide
CID 40887452
(2-chloro-3,4-dimethoxyphenyl) (E)-6-[6-methoxy-7-methyl-3-oxo-4-(propan-2-ylamino)-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate
CID 67047293
(4-methoxy-6'-methyl-3-oxospiro[1H-indene-2,5'-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline]-5-yl) acetate
CID 629720
[6-(2-methoxyphenyl)-1,2,2,4-tetramethylquinolin-5-yl]methyl prop-2-enoate
CID 58026791
(2-chloro-3,4-dimethoxyphenyl) (E)-6-[4-(ethylamino)-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate
CID 67046769

Frequently Asked Questions

What is the IUPAC name of (10-methoxy-2,2,4-trimethyl-1-prop-2-enyl-5H-chromeno[3,4-f]quinolin-9-yl) 3-acetamidopropanoate?
The IUPAC name of (10-methoxy-2,2,4-trimethyl-1-prop-2-enyl-5H-chromeno[3,4-f]quinolin-9-yl) 3-acetamidopropanoate (CID 90805615) is (10-methoxy-2,2,4-trimethyl-1-prop-2-enyl-5H-chromeno[3,4-f]quinolin-9-yl) 3-acetamidopropanoate.
What is the SMILES notation for (10-methoxy-2,2,4-trimethyl-1-prop-2-enyl-5H-chromeno[3,4-f]quinolin-9-yl) 3-acetamidopropanoate?
The canonical SMILES for (10-methoxy-2,2,4-trimethyl-1-prop-2-enyl-5H-chromeno[3,4-f]quinolin-9-yl) 3-acetamidopropanoate is C=CCN1c2ccc3c(c2C(C)=CC1(C)C)COc1ccc(OC(=O)CCNC(C)=O)c(OC)c1-3.
What is the InChIKey of (10-methoxy-2,2,4-trimethyl-1-prop-2-enyl-5H-chromeno[3,4-f]quinolin-9-yl) 3-acetamidopropanoate?
The InChIKey is IQFFESQQOPJPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O5/c1-7-14-30-21-9-8-19-20(25(21)17(2)15-28(30,4)5)16-34-22-10-11-23(27(33-6)26(19)22)35-24(32)12-13-29-18(3)31/h7-11,15H,1,12-14,16H2,2-6H3,(H,29,31).
What are the key properties of (10-methoxy-2,2,4-trimethyl-1-prop-2-enyl-5H-chromeno[3,4-f]quinolin-9-yl) 3-acetamidopropanoate?
(10-methoxy-2,2,4-trimethyl-1-prop-2-enyl-5H-chromeno[3,4-f]quinolin-9-yl) 3-acetamidopropanoate has a molecular weight of 476.57 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (10-methoxy-2,2,4-trimethyl-1-prop-2-enyl-5H-chromeno[3,4-f]quinolin-9-yl) 3-acetamidopropanoate is sourced from PubChem (CID 90805615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).