7-methoxy-3,3-bis(3-methylbut-2-enyl)-1H-quinoline-2,4-dione

C20H25NO3 — CID 14261756

IUPAC7-methoxy-3,3-bis(3-methylbut-2-enyl)-1H-quinoline-2,4-dione
SMILESCOc1ccc2c(c1)NC(=O)C(CC=C(C)C)(CC=C(C)C)C2=O
InChIInChI=1S/C20H25NO3/c1-13(2)8-10-20(11-9-14(3)4)18(22)16-7-6-15(24-5)12-17(16)21-19(20)23/h6-9,12H,10-11H2,1-5H3,(H,21,23)
InChIKeyKCEMACKKFCZVND-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.53
Rot. Bonds5

About 7-methoxy-3,3-bis(3-methylbut-2-enyl)-1H-quinoline-2,4-dione

7-methoxy-3,3-bis(3-methylbut-2-enyl)-1H-quinoline-2,4-dione (PubChem CID 14261756) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 7-methoxy-3,3-bis(3-methylbut-2-enyl)-1H-quinoline-2,4-dione.

Molecular Properties

Compound Name7-methoxy-3,3-bis(3-methylbut-2-enyl)-1H-quinoline-2,4-dione
PubChem CID14261756
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name7-methoxy-3,3-bis(3-methylbut-2-enyl)-1H-quinoline-2,4-dione
SMILESCOc1ccc2c(c1)NC(=O)C(CC=C(C)C)(CC=C(C)C)C2=O
InChIInChI=1S/C20H25NO3/c1-13(2)8-10-20(11-9-14(3)4)18(22)16-7-6-15(24-5)12-17(16)21-19(20)23/h6-9,12H,10-11H2,1-5H3,(H,21,23)
InChIKeyKCEMACKKFCZVND-UHFFFAOYSA-N
XLogP4.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 7-methoxy-3,3-bis(3-methylbut-2-enyl)-1H-quinoline-2,4-dione with MolForge

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Related Compounds

7-Methoxy-1-methyl-2-phenyl-4(1H)-quinolinone
CID 253834
4-methoxy-N-(3-methoxyphenyl)benzamide
CID 687087
7-Methoxy-2-phenyl-quinolin-4-ol
CID 289743
N-(5-methoxy-2-methylphenyl)-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-4-carboxamide
CID 2982754
3-Heptyl-4-hydroxy-7-methoxy-2-methylquinoline
CID 100474
3-Bromo-7-methoxy-2-methylquinolin-4-ol
CID 44531217
N-(2-ethylphenyl)-4-methoxybenzamide
CID 710654
6-Methoxyisatin
CID 10374972
ethyl 7-methoxy-2-(3-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate
CID 45103531
ethyl 7-methoxy-2-(m-tolyl)-4-oxo-1H-quinoline-3-carboxylate
CID 46884041
ethyl 7-methoxy-4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxylate
CID 46884042
ethyl 2-(3-acetylphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 71453506

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3,3-bis(3-methylbut-2-enyl)-1H-quinoline-2,4-dione?
The IUPAC name of 7-methoxy-3,3-bis(3-methylbut-2-enyl)-1H-quinoline-2,4-dione (CID 14261756) is 7-methoxy-3,3-bis(3-methylbut-2-enyl)-1H-quinoline-2,4-dione.
What is the SMILES notation for 7-methoxy-3,3-bis(3-methylbut-2-enyl)-1H-quinoline-2,4-dione?
The canonical SMILES for 7-methoxy-3,3-bis(3-methylbut-2-enyl)-1H-quinoline-2,4-dione is COc1ccc2c(c1)NC(=O)C(CC=C(C)C)(CC=C(C)C)C2=O.
What is the InChIKey of 7-methoxy-3,3-bis(3-methylbut-2-enyl)-1H-quinoline-2,4-dione?
The InChIKey is KCEMACKKFCZVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-13(2)8-10-20(11-9-14(3)4)18(22)16-7-6-15(24-5)12-17(16)21-19(20)23/h6-9,12H,10-11H2,1-5H3,(H,21,23).
What are the key properties of 7-methoxy-3,3-bis(3-methylbut-2-enyl)-1H-quinoline-2,4-dione?
7-methoxy-3,3-bis(3-methylbut-2-enyl)-1H-quinoline-2,4-dione has a molecular weight of 327.42 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3,3-bis(3-methylbut-2-enyl)-1H-quinoline-2,4-dione is sourced from PubChem (CID 14261756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).